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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 11/20 | 0.97 |
| ▸ | DRD3 known ✓ | P35462 | 9/20 | 0.97 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | DRD4 known ✓ | P21917 | 6/20 | 0.61 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.60 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.60 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6824058 | 1.00 | DRD2 (0.97) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| Hydrochloric Acid SCHEMBL6824054 | 1.00 | DRD2 (0.97) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| Hydrochloric Acid SCHEMBL31672141 | 1.00 | DRD2 (0.97) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL43366 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL895845 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL895742 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL29429678 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL29547385 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| SCHEMBL9315535 | 0.89 | DRD2 (0.82) | DRD2DRD3ADRA1ADRD4CHRM2 | |
| Hydrochloric Acid SCHEMBL4208502 | 0.89 | DRD2 (0.77) | DRD2DRD3ADRA1ACHRM2CHRM1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9145353-B2 | Method of preparing (S)-2-amino-5-methoxytetralin hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2015-09-29 | — | — | US | claimed |
| US-20140046095-A1 | Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2014-02-13 | — | — | US | claimed |
| US-20170305877-A1 | Processes for the Preparation of Rotigotine and Intermediates Thereof | APOTEX INC. (CA) | 2017-10-26 | — | — | US | disclosed |
| US-20160297745-A1 | ENDODONTIC POST SYSTEM | APOTEX INC (CA) | 2016-10-13 | — | — | US | disclosed |
| WO-2016044918-A1 | PROCESSES FOR THE PREPARATION OF ROTIGOTINE AND INTERMEDIATES THEREOF | APOTEX INC. (CA) | 2016-03-31 | — | — | WO | disclosed |
| US-9145353-B2 | Method of preparing (S)-2-amino-5-methoxytetralin hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2015-09-29 | — | — | US | disclosed |
| US-9145353-B2 | Method of preparing (S)-2-amino-5-methoxytetralin hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2015-09-29 | — | — | US | disclosed |
| US-9145353-B2 | Method of preparing (S)-2-amino-5-methoxytetralin hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2015-09-29 | — | — | US | disclosed |
| US-20140046095-A1 | Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2014-02-13 | — | — | US | disclosed |
| US-20140046095-A1 | Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2014-02-13 | — | — | US | disclosed |
| US-20140046095-A1 | Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride | ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) | 2014-02-13 | — | — | US | disclosed |
| US-20110313176-A1 | PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ACTAVIS GROUP PTC EHF (IS) | 2011-12-22 | — | — | US | disclosed |
| WO-2010073124-A2 | PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ACTAVIS GROUP PTC EHF (IS) | 2010-07-01 | — | — | 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 (4 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-20140046095-A1 | Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride | ADRB2, TPMT, TDO2 | DRD2 44/4885DRD3 143/4885ADRA1A 10/4885 |
| US-20170305877-A1 | Processes for the Preparation of Rotigotine and Intermediates Thereof | C1S, C1R, C3AR1 | DRD2 119/4885DRD3 105/4885ADRA1A 675/4885 |
| US-20160297745-A1 | ENDODONTIC POST SYSTEM | ABCB11, EXOC3, C1S | DRD2 552/4885DRD3 125/4885ADRA1A 1397/4885 |
| US-20110313176-A1 | PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | MC4R, AVPR2, MC5R | DRD2 100/4885DRD3 216/4885ADRA1A 169/4885 |
“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.