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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5638078 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9HPGDHTT | |
| SCHEMBL9456743 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2C19CYP2C9HPGDHTT | |
| SCHEMBL10709902 | 0.80 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9HPGDHTT | |
| SCHEMBL11871309 | 0.79 | HPGD (0.70) | CYP1A2CYP2C19CYP2C9HPGDHTT | |
| Hydrochloric Acid SCHEMBL7517236 | 0.79 | TDP1 (0.67) | HPGDHTTMTNR1ATDP1ALDH1A1 | |
| SCHEMBL66670 | 0.77 | TDP1 (0.69) | CYP1A2HPGDHTTMTNR1ATDP1 | |
| SCHEMBL27634399 | 0.75 | TDP1 (0.67) | HPGDHTTMTNR1ATDP1ALDH1A1 | |
| SCHEMBL28754118 | 0.75 | TDP1 (0.67) | HPGDHTTMTNR1ATDP1ALDH1A1 | |
| SCHEMBL11866442 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2C9HPGDHTT | |
| SCHEMBL11866454 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP2C9HPGDHTT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005005377-A1 | (2R, 5R)-6N-(1-IMINOETHYL)-2,6-DIAMINO-5-METHYL-4-THIOHEXANOIC ACID; SALTS THEREOF; A PROCESS FOR THEIR PREPARATION; PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDECINE | GLAXO GROUP LIMITED (GB) | 2005-01-20 | — | — | WO | disclosed |
| US-6620848-B2 | Antiarthritic agents, antihistamines, headaches | SMITHKLINE BEECHAM CORPORATION | 2003-09-16 | — | — | US | disclosed |
| EP-1084104-B1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LTD (GB) | 2003-07-16 | — | — | EP | disclosed |
| US-6495606-B1 | ADMINISTERING S-((R)-2-(1-IMINOETHYLAMINO)PROPYL)-L-CYSTEINE | SMITHKLINE BEECHAM CORPORATION | 2002-12-17 | — | — | US | disclosed |
| US-6369272-B1 | ENZYME INHIBITORS OF AMIDINE ALKYL SULFIDE AMINOACIDS | GLAXOSMITHKLINE | 2002-04-09 | — | — | US | disclosed |
| US-6355689-B1 | ANTIINFLAMMATORY AGENTS | SMITHKLINE BEECHAM CORPORATION | 2002-03-12 | — | — | US | disclosed |
| US-20020010366-A1 | Nitric oxide synthase inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-01-24 | — | — | US | disclosed |
| EP-0958277-B1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LTD (GB) | 2001-11-21 | — | — | EP | disclosed |
| EP-1084104-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062875-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |
| EP-0958277-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998030537-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1998-07-16 | — | — | 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 (1 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-20020010366-A1 | Nitric oxide synthase inhibitors | NOS1, NOS2, NOS3 | CYP1A2 59/4885CYP2C19 111/4885CYP2C9 143/4885 |
“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.