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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 4/20 | 0.31 |
| ▸ | ARG2 | P78540 | 2/20 | 0.31 |
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 SCHEMBL6218699 | 1.00 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL4235768 | 1.00 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| SCHEMBL6680402 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| SCHEMBL6215052 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| SCHEMBL3865460 | 0.98 | CYP1A2 (0.33) | CYP1A2ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL4260557 | 0.95 | MEN1 (0.31) | — | |
| SCHEMBL2124257 | 0.93 | CYP2C19 (0.31) | — | |
| SCHEMBL5321582 | 0.93 | CYP2C19 (0.31) | — | |
| SCHEMBL11611121 | 0.93 | CYP2C19 (0.31) | — | |
| SCHEMBL5322364 | 0.91 | CYP2C19 (0.33) | CYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984648-B2 | Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-01-10 | — | — | US | disclosed |
| EP-1427408-A4 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) | BRISTOL MYERS SQUIBB CO (US) | 2005-10-26 | — | — | EP | disclosed |
| US-20040162426-A1 | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha | LU ZHONGHUI (US) | 2004-08-19 | — | — | US | disclosed |
| EP-1427408-A2 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6743807-B2 | TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-06-01 | — | — | US | disclosed |
| US-6740649-B2 | ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS | BRISTOL-MYERS SQUIBB COMPANY | 2004-05-25 | — | — | US | disclosed |
| US-20030139388-A1 | Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-07-24 | — | — | US | disclosed |
| WO-2003024899-A2 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-03-27 | — | — | WO | disclosed |
| EP-1263755-A2 | CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| US-20020016336-A1 | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-02-07 | — | — | US | disclosed |
| WO-2001070673-A2 | CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | 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-20020016336-A1 | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha | RNPEP, TNF, ANPEP | CYP1A2 2398/4885ARG1 94/4885ARG2 604/4885 |
| US-20030139388-A1 | Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | ADAMTS1, MMP1, ADAM17 | CYP1A2 2022/4885ARG1 138/4885ARG2 1578/4885 |
| US-20040162426-A1 | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha | RNPEP, TNF, ANPEP | CYP1A2 2398/4885ARG1 94/4885ARG2 604/4885 |
“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.