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 | 0.38 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.37 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.36 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL63752 | 0.99 | TNIK (0.40) | TNIKKMT2ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL64313 | 0.85 | NPC1 (0.53) | KMT2ASMN1; SMN2NPC1ALDH1A1CYP1A2 | |
| SCHEMBL65041 | 0.76 | NPC1 (0.55) | KMT2ASMN1; SMN2NPC1MEN1RAB9A | |
| SCHEMBL63258 | 0.76 | FGFR1 (0.51) | TNIKKMT2ASMN1; SMN2NPC1TP53 | |
| SCHEMBL63691 | 0.75 | FGFR1 (0.47) | CCNA2CDK2MCHR1HDAC1HDAC6 | |
| SCHEMBL64317 | 0.75 | FGFR1 (0.64) | TNIKKMT2AALDH1A1TP53RAB9A | |
| SCHEMBL62670 | 0.74 | FGFR1 (0.52) | TNIKKMT2ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL63097 | 0.74 | FGFR1 (0.46) | TNIKKMT2ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL65181 | 0.73 | FGFR1 (0.49) | TNIKKMT2ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL64802 | 0.73 | NFKB1 (0.40) | SMN1; SMN2NPC1ALDH1A1CYP1A2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-10301267-B2 | Compounds | ASTRAZENECA AB (SE) | 2019-05-28 | — | — | US | disclosed |
| US-20170260143-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2017-09-14 | — | — | US | disclosed |
| US-9688640-B2 | Methods of treating cancer with a pyrazole derivative | ASTRAZENECA AB (SE) | 2017-06-27 | — | — | US | disclosed |
| US-20150299134-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2015-10-22 | — | — | US | disclosed |
| US-20140066455-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2014-03-06 | — | — | US | disclosed |
| US-8604022-B2 | N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof | ASTRAZENECA AB (SE) | 2013-12-10 | — | — | US | disclosed |
| US-20120129844-A1 | N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF | ASTRAZENECA AB | 2012-05-24 | — | — | US | disclosed |
| US-8129391-B2 | N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof | ASTRAZENECA AB (SE) | 2012-03-06 | — | — | US | disclosed |
| EP-2125748-B1 | ACYLAMINOPYRAZOLES AS FGFR INHIBITORS | ASTRAZENECA AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| US-20100273811-A1 | N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof | ASTRAZENECA AB | 2010-10-28 | — | — | US | disclosed |
| US-7737149-B2 | N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof | ASTRAZENECA AB (SE) | 2010-06-15 | — | — | US | disclosed |
| US-20080153812-A1 | Heterocyclic amides as anticancer agents | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | 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 (7 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-10301267-B2 | Compounds | SLC10A1, CYP11B1, ABCB11 | GAA 764/4885MAOB 1283/4885HDAC1 153/4885 |
| US-20100273811-A1 | N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof | PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | GAA 1294/4885MAOB 2257/4885HDAC1 94/4885 |
| US-20140066455-A1 | NOVEL COMPOUNDS | SLC10A1, ABCB11, CYP11B1 | GAA 1092/4885MAOB 2776/4885HDAC1 96/4885 |
| US-20080153812-A1 | Heterocyclic amides as anticancer agents | HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | GAA 334/4885MAOB 2057/4885HDAC1 1/4885 |
| US-20120129844-A1 | N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF | PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | GAA 1294/4885MAOB 2257/4885HDAC1 94/4885 |
| US-20170260143-A1 | NOVEL COMPOUNDS | SLC10A1, ABCB11, CYP11B1 | GAA 1092/4885MAOB 2776/4885HDAC1 96/4885 |
| US-20150299134-A1 | NOVEL COMPOUNDS | SLC10A1, ABCB11, CYP11B1 | GAA 1092/4885MAOB 2776/4885HDAC1 96/4885 |
“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.