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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 20/20 | 0.81 |
| ▸ | BCR known ✓ | P11274 | 11/20 | 0.81 |
| ▸ | KIT known ✓ | P10721 | 10/20 | 0.70 |
| ▸ | PDGFRB known ✓ | P09619 | 3/20 | 0.70 |
| ▸ | PDGFRA known ✓ | P16234 | 2/20 | 0.70 |
| ▸ | LCK known ✓ | P06239 | 2/20 | 0.70 |
| ▸ | MAPK14 known ✓ | Q16539 | 2/20 | 0.70 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.70 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.70 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.70 |
| ▸ | CSF1R known ✓ | P07333 | 1/20 | 0.70 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.70 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.70 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.70 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.70 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.70 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.70 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.63 |
| ▸ | LYN | P07948 | 7/20 | 0.81 |
| ▸ | ABL2 | P42684 | 8/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL3562794 | 0.99 | ABL1 (0.82) | ABL1BCRLYNKITABL2 | |
| SCHEMBL27651432 | 0.94 | ABL1 (0.82) | ABL1BCRLYNKITABL2 | |
| Hydrochloric Acid SCHEMBL3562376 | 0.92 | ABL1 (0.87) | ABL1BCRLYNKITABL2 | |
| Hydrochloric Acid SCHEMBL3566618 | 0.92 | ABL1 (0.87) | ABL1BCRLYNKITABL2 | |
| SCHEMBL3564081 | 0.91 | ABL1 (0.88) | ABL1BCRLYNKITABL2 | |
| SCHEMBL3562355 | 0.91 | ABL1 (0.88) | ABL1BCRLYNKITABL2 | |
| Hydrochloric Acid SCHEMBL3569814 | 0.90 | ABL1 (0.79) | ABL1BCRLYNKITABL2 | |
| Hydrochloric Acid SCHEMBL3565463 | 0.90 | ABL1 (0.99) | ABL1BCRLYNKITABL2 | |
| SCHEMBL3561413 | 0.89 | ABL1 (1.00) | ABL1BCRLYNKITABL2 | |
| SCHEMBL3557544 | 0.89 | ABL1 (0.80) | ABL1BCRLYNKITABL2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101456841-B | Amide derivative and medicine | NIPPON SHINYAKU CO LTD | 2012-01-25 | — | — | CN | disclosed |
| US-7728131-B2 | 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia | NIPPON SHINYAKU CO., LTD. (JP) | 2010-06-01 | — | — | US | disclosed |
| US-20080293940-A1 | Amide Derivative and Medicine | NIPPON SHINYAKU CO., LTD. (JP) | 2008-11-27 | — | — | US | disclosed |
| CN-1898208-A | Amide derivative and pharmaceutical | NIPPON SHINYAKU CO LTD (JP) | 2007-01-17 | — | — | CN | 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 (1 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-20080293940-A1 | Amide Derivative and Medicine | ABL2, ABL1, BCR | ABL1 2/4885BCR 3/4885KIT 1217/4885 |
“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.