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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.43 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.39 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.39 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.39 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.39 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.39 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.48 |
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 SCHEMBL4426329 | 1.00 | NOTUM (0.48) | NOTUMBRD4EGFRCYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4423682 | 0.85 | EGFR (0.41) | NOTUMEGFRGABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL4423689 | 0.85 | EGFR (0.41) | NOTUMEGFRGABRPGABRDGABRA1 | |
| SCHEMBL5619322 | 0.83 | ALDH1A1 (0.43) | BRD4EGFRGABRPGABRDGABRA1 | |
| SCHEMBL5619318 | 0.83 | ALDH1A1 (0.43) | BRD4EGFRGABRPGABRDGABRA1 | |
| SCHEMBL4422526 | 0.81 | CYP2D6 (0.58) | NOTUMBRD4CYP2D6CYP2C9POLB | |
| SCHEMBL4422532 | 0.81 | CYP2D6 (0.58) | NOTUMBRD4CYP2D6CYP2C9POLB | |
| SCHEMBL4425590 | 0.80 | NOTUM (0.46) | NOTUMBRD4CYP2D6CYP2C9POLB | |
| SCHEMBL4425596 | 0.80 | NOTUM (0.46) | NOTUMBRD4CYP2D6CYP2C9POLB | |
| Hydrochloric Acid SCHEMBL2236937 | 0.80 | GABRP (0.43) | EGFRGABRPGABRDGABRA1GABRB1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1673347-B1 | SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| EP-1711470-B1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE | HOFFMANN LA ROCHE (CH) | 2009-04-15 | — | — | EP | disclosed |
| US-7166587-B2 | Carbamic acid alkyl ester derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7160875-B2 | Malonamide derivatives | HOFFMANN-LA RACHE INC. (US) | 2007-01-09 | — | — | US | disclosed |
| EP-1711470-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-18 | — | — | EP | disclosed |
| EP-1673347-A1 | SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS | F. Hoffman-la Roche AG (CH) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005040126-A1 | SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS | F. HOFFMAN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | disclosed |
| US-20050075327-A1 | Carbamic acid alkyl ester derivatives | HOFFMAN-LA ROCHE INC. | 2005-04-07 | — | — | US | disclosed |
| WO-2005023772-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-17 | — | — | WO | disclosed |
| US-20050054633-A1 | secretase inhibitors; therapy for Alzheimer's disease | HOFFMANN-LA ROCHE INC. | 2005-03-10 | — | — | 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 (2 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-20050075327-A1 | Carbamic acid alkyl ester derivatives | BCHE, CHRM1, ADCY7 | EGFR 743/4885GABRP 1160/4885GABRD 602/4885 |
| US-20050054633-A1 | secretase inhibitors; therapy for Alzheimer's disease | BACE1, BACE2, APP | EGFR 1335/4885GABRP 567/4885GABRD 547/4885 |
“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.