Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.50 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.37 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3394048 | 0.98 | ALDH1A1 (0.51) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL939773 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL7825503 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| Hydrochloric Acid SCHEMBL6578159 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| Hydrochloric Acid SCHEMBL28038690 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL466295 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| Hydrochloric Acid SCHEMBL3648260 | 0.76 | TSHR (0.60) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL14534858 | 0.74 | USP2 (0.62) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL466314 | 0.74 | TSHR (0.62) | ALDH1A1TSHRSMN1; SMN2USP2LMNA | |
| SCHEMBL1643330 | 0.74 | TSHR (0.62) | ALDH1A1TSHRSMN1; SMN2USP2LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010075520-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-07-01 | — | — | WO | claimed |
| US-20100160666-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-06-24 | — | — | US | claimed |
| US-20200283376-A1 | Crystalline Form of y-Aminobutyric Acid Analog | ARBOR PHARMACEUTICALS, LLC | 2020-09-10 | — | — | US | disclosed |
| US-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | ARBOR PHARMACEUTICALS LLC (US) | 2019-05-23 | — | — | US | disclosed |
| US-20170183296-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | ARBOR PHARMACEUTICALS, LLC | 2017-06-29 | — | — | US | disclosed |
| US-20150353483-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2015-12-10 | — | — | US | disclosed |
| US-9150503-B2 | Crystalline form of γ-aminobutyric acid analog | XENOPORT, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20140235710-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| EP-2275401-B1 | Crystalline 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid | XENOPORT INC (US) | 2013-04-03 | — | — | EP | disclosed |
| WO-2012164055-A2 | NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN | LACER, S.A. (ES) | 2012-12-06 | — | — | WO | disclosed |
| EP-2530072-A1 | New compounds, synthesis and use thereof in the treatment of pain | LACER, S.A. (ES) | 2012-12-05 | — | — | EP | disclosed |
| US-20080188562-A1 | 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects | XENOPORT, INC. | 2008-08-07 | — | — | US | disclosed |
| US-20080161393-A1 | Use of prodrugs of GABA analogs for treating disease | XENOPORT, INC. | 2008-07-03 | — | — | US | disclosed |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | XENOPORT, INC | 2008-03-06 | — | — | US | disclosed |
| US-7232924-B2 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. (US) | 2007-06-19 | — | — | US | disclosed |
| US-20070049627-A1 | Treating vulvodynia using prodrugs of GABA analogs | XENOPORT, INC. | 2007-03-01 | — | — | US | disclosed |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. | 2006-12-21 | — | — | US | disclosed |
| CN-1675165-A | Method for synthesizing acyloxyalkyl derivatives of GABA analogs | XENOPORT INC (US) | 2005-09-28 | — | — | CN | disclosed |
| US-20050154057-A1 | Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia | HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT | 2005-07-14 | — | — | US | disclosed |
| US-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. | 2004-01-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | CACNA2D1 1100/4885GAA 194/4885CACNA1B 90/4885 |
| US-20080188562-A1 | 1-{[ alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid and 3-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-5-methyl hexanoic acid; extended oral release dosage form with a reduced rate of systemic clearance and without significant side effects | GABRB1, GABBR1, GABRB2 | CACNA2D1 298/4885GAA 1451/4885CACNA1B 93/4885 |
| US-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | CACNA2D1 425/4885GAA 1099/4885CACNA1B 48/4885 |
| US-20140235710-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | CACNA2D1 1100/4885GAA 194/4885CACNA1B 90/4885 |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | CACNA2D1 425/4885GAA 1099/4885CACNA1B 48/4885 |
| US-20080161393-A1 | Use of prodrugs of GABA analogs for treating disease | GABRB1, GABBR1, GABRB3 | CACNA2D1 1561/4885GAA 195/4885CACNA1B 273/4885 |
| US-20150353483-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | CACNA2D1 1100/4885GAA 194/4885CACNA1B 90/4885 |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | GABRB1, GABRB3, GABBR1 | CACNA2D1 425/4885GAA 1099/4885CACNA1B 48/4885 |
| US-20100160666-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | GABRB1, GABRB3, GABRB2 | CACNA2D1 53/4885GAA 1413/4885CACNA1B 35/4885 |
| US-20050154057-A1 | Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia | GABRB1, GABRP, GABRA1 | CACNA2D1 282/4885GAA 236/4885CACNA1B 35/4885 |
| US-20200283376-A1 | Crystalline Form of y-Aminobutyric Acid Analog | GABRB2, GABRB1, GABRB3 | CACNA2D1 1100/4885GAA 194/4885CACNA1B 90/4885 |
| US-20070049627-A1 | Treating vulvodynia using prodrugs of GABA analogs | GABBR1, GABBR2, GABRB3 | CACNA2D1 869/4885GAA 710/4885CACNA1B 71/4885 |
| US-20170183296-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | CACNA2D1 1100/4885GAA 194/4885CACNA1B 90/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.