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 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.55 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.55 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 SCHEMBL2334192 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| SCHEMBL4758241 | 0.98 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| Trifluoroacetic Acid SCHEMBL30436984 | 0.85 | PLOD2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| Hydrochloric Acid SCHEMBL13738814 | 0.83 | GSK3B (0.42) | CYP3A4ALDH1A1HPGDHIF1AKDM4E | |
| SCHEMBL16404441 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| SCHEMBL10948430 | 0.78 | PLOD2 (0.83) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| SCHEMBL15988710 | 0.78 | CYP2C19 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| Hydrochloric Acid SCHEMBL899290 | 0.77 | GSK3B (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| Hydrochloric Acid SCHEMBL4898869 | 0.77 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19PLOD2 | |
| Hydrochloric Acid SCHEMBL690938 | 0.76 | SMN1; SMN2 (0.48) | CYP1A2ALDH1A1HPGDHIF1AKDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7361669-B2 | Compositions and method for inhibiting TGF-β | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-04-22 | — | — | US | disclosed |
| US-7232816-B2 | Substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them | PFIZER, INC. (US) | 2007-06-19 | — | — | US | disclosed |
| US-6962912-B2 | Substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them | WARNER-LAMBERT LLC (US) | 2005-11-08 | — | — | US | disclosed |
| EP-1581222-A2 | COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-10-05 | — | — | EP | disclosed |
| US-20050130957-A1 | Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them | PFIZER INC. | 2005-06-16 | — | — | US | disclosed |
| EP-1248787-B1 | NOVEL SUBTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM | WARNER LAMBERT CO (US) | 2004-10-06 | — | — | EP | disclosed |
| US-20040157861-A1 | Compositions and methods for inhibiting TGF-beta | MILLENNIUM PHARMACEUTICALS, INC. | 2004-08-12 | — | — | US | disclosed |
| WO-2004060362-A2 | COMPOSITIONS AND METHODS FOR INHIBITING TGF-β | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-07-22 | — | — | WO | disclosed |
| US-20030171364-A1 | Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them | BURNOUF CATHERINE (FR) | 2003-09-11 | — | — | US | disclosed |
| EP-1248787-A2 | NOVEL SUBTITUTED PYRAZOLO[4, 3-E]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM | WARNER-LAMBERT COMPANY (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001049689-A2 | NOVEL SUBSTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM | WARNER-LAMBERT COMPANY (US) | 2001-07-12 | — | — | WO | disclosed |
| US-5280030-A | Containing 1-benz(oxazole, thiazole or imidazole)-4-imidazole piperidine compound | SYNTHELABO (FR) | 1994-01-18 | — | — | US | disclosed |
| US-5106986-A | PREPARATION OF AMINOETHANOL DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-21 | — | — | US | disclosed |
| EP-0450180-A2 | Process for the preparation of aminoethanol derivatives | BAYER AG (DE) | 1991-10-09 | — | — | EP | 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-20050130957-A1 | Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them | ADRA2C, CYP3A5, CYP2C19 | GAA 2705/4885CYP1A2 45/4885CYP3A4 10/4885 |
| US-20030171364-A1 | Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them | CYP3A5, THPO, CYP3A4 | GAA 2684/4885CYP1A2 37/4885CYP3A4 3/4885 |
| US-20040157861-A1 | Compositions and methods for inhibiting TGF-beta | TGFB1, TGFB2, TGFBR1 | GAA 2392/4885CYP1A2 3545/4885CYP3A4 3971/4885 |
“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.