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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5219619 | 0.98 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Hydrochloric Acid SCHEMBL5219486 | 0.82 | MAPT (0.51) | TSHRSMN1; SMN2HSD17B10LMNACYP1A2 | |
| SCHEMBL15646421 | 0.79 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL5215323 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HSD17B10LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL27841975 | 0.77 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL18228619 | 0.76 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Hydrochloric Acid SCHEMBL5218429 | 0.76 | NAPRT (0.47) | ALDH1A1SMN1; SMN2HSD17B10TDP1MAOB | |
| SCHEMBL29915528 | 0.75 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL526662 | 0.75 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2HSD17B10MAOB | |
| SCHEMBL1242243 | 0.75 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458386-B1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO MCNEIL PHARM INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-07-07 | — | — | US | disclosed |
| US-6897319-B2 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| EP-1458386-A1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-03-25 | — | — | US | disclosed |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-09-25 | — | — | US | disclosed |
| WO-2003057219-A1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO-MCNEIL PHARMACEUTICAL INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| WO-2003057147-A2 | USEFUL AROYL PYRROLE HETEROARYL METHANONES AND METHANOLS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-07-17 | — | — | WO | 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 (3 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-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | GAA 2664/4885HDAC1 3397/4885HDAC6 3431/4885 |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | GAA 2664/4885HDAC1 3397/4885HDAC6 3431/4885 |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | GAA 2664/4885HDAC1 3397/4885HDAC6 3431/4885 |
“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.