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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | RORC | P51449 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | MTOR | P42345 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL231222 | 0.98 | KMT2A (0.63) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL8450902 | 0.96 | KMT2A (0.61) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL6392429 | 0.96 | KMT2A (0.61) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL27637460 | 0.89 | KMT2A (0.55) | KMT2ARORCCYP3A4MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL6222540 | 0.86 | KMT2A (0.70) | KMT2ACYP3A4MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL10953243 | 0.85 | HSD17B10 (0.62) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL9074113 | 0.84 | RORC (0.53) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL231457 | 0.84 | KMT2A (0.72) | KMT2ACYP3A4MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL398463 | 0.84 | HSD17B10 (0.60) | KMT2ARORCCYP3A4MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL10694658 | 0.83 | ALDH1A1 (0.68) | KMT2ACYP3A4MAPTMEN1TP53 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9347961-B2 | Test kit for the quantitative determination of narcotic drugs | CHIRON AS (NO) | 2016-05-24 | — | — | US | disclosed |
| US-20150204893-A1 | TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS | CHIRON AS (NO) | 2015-07-23 | — | — | US | disclosed |
| EP-2875362-A1 | TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS | Chiron AS (NO) | 2015-05-27 | — | — | EP | disclosed |
| WO-2014013063-A1 | TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS | CHIRON AS (NO) | 2014-01-23 | — | — | WO | disclosed |
| EP-2687854-A1 | Test kit for the quantitative determination of narcotic drugs | Chiron AS (NO) | 2014-01-22 | — | — | EP | disclosed |
| EP-1425279-A4 | METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES | SEARLE LLC (US) | 2005-10-26 | — | — | EP | disclosed |
| US-20050090543-A1 | Method for the preparation of tetrahydrobenzothiepines | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | US | disclosed |
| US-6794544-B2 | APICAL SODIUM CO- DEPENDENT BILE ACID TRANSPORTER (ASBT) INHIBITORS | PHARMACIA CORPORATION | 2004-09-21 | — | — | US | disclosed |
| EP-1425279-A2 | METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES | G.D. Searle LLC (US) | 2004-06-09 | — | — | EP | disclosed |
| US-20040082647-A1 | Method for the preparation of tetrahydrobenzothiepines | G.D. SEARLE, LLC | 2004-04-29 | — | — | US | disclosed |
| US-20030236406-A1 | Method for the preparation of tetrahydrobenzothiepines | BABIAK KEVIN A (US) | 2003-12-25 | — | — | US | disclosed |
| WO-2003022804-A9 | METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES | SEARLE LLC (US) | 2003-12-18 | — | — | WO | disclosed |
| US-20030199515-A1 | Method for the preparation of crystalline tetrahydrobenzothiepines | G.D. SEARLE, LLC (US) | 2003-10-23 | — | — | US | disclosed |
| US-6586434-B2 | Method for the preparation of tetrahydrobenzothiepines | G.D. SEARLE, LLC | 2003-07-01 | — | — | US | disclosed |
| WO-2003022804-A2 | METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES | G.D. SEARLE LLC (US) | 2003-03-20 | — | — | WO | disclosed |
| EP-1286984-A2 | METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES | Pharmacia Corporation (US) | 2003-03-05 | — | — | EP | disclosed |
| US-20020032329-A1 | Method for the preparation of tetrahydrobenzothiepines | G.D. SEARLE LLC | 2002-03-14 | — | — | US | disclosed |
| WO-2001068637-A2 | METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | disclosed |
| US-4622396-A | FIBER REACTIVE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-11 | — | — | US | disclosed |
| US-3971741-A | DISPERSION PIGMENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-27 | — | — | 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 (5 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-20030199515-A1 | Method for the preparation of crystalline tetrahydrobenzothiepines | TPMT, MPST, SULT1A1 | PPARG 2434/4885KMT2A 1183/4885RORC 3394/4885 |
| US-20020032329-A1 | Method for the preparation of tetrahydrobenzothiepines | TMT1A, THOP1, BBOX1 | PPARG 2044/4885KMT2A 1358/4885RORC 3256/4885 |
| US-20050090543-A1 | Method for the preparation of tetrahydrobenzothiepines | TMT1A, THOP1, BBOX1 | PPARG 2044/4885KMT2A 1358/4885RORC 3256/4885 |
| US-20030236406-A1 | Method for the preparation of tetrahydrobenzothiepines | TMT1A, THOP1, BBOX1 | PPARG 2127/4885KMT2A 1351/4885RORC 3244/4885 |
| US-20040082647-A1 | Method for the preparation of tetrahydrobenzothiepines | TMT1A, THOP1, BBOX1 | PPARG 2044/4885KMT2A 1358/4885RORC 3256/4885 |
“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.