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 | |
|---|---|---|---|---|
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.39 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.39 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC3 known ✓ | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 known ✓ | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 known ✓ | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 known ✓ | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 2/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 14/20 | 0.54 |
| ▸ | CTSB | P07858 | 4/20 | 0.47 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1335370 | 0.92 | CAPN1 (0.56) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1335368 | 0.92 | CAPN1 (0.56) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1334155 | 0.86 | CAPN1 (0.59) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1334153 | 0.86 | CAPN1 (0.59) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1931002 | 0.82 | CAPN1 (0.79) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1930998 | 0.82 | CAPN1 (0.79) | CAPN1CTSBCTSSCTSKCTSL | |
| Diethylamine SCHEMBL1931000 | 0.80 | CAPN1 (0.56) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1333689 | 0.80 | CAPN1 (0.70) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1333687 | 0.80 | CAPN1 (0.70) | CAPN1CTSBCTSSCTSKCTSL | |
| SCHEMBL1931011 | 0.79 | CAPN1 (0.69) | CAPN1CTSBCTSSCTSKCTSL |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110275615-A1 | NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2011-11-10 | — | — | US | disclosed |
| US-7956093-B2 | Substituted amides, their preparation and use | ABBOTT GMBH & CO. KG (DE) | 2011-06-07 | — | — | US | disclosed |
| US-20080113989-A1 | For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2008-05-15 | — | — | US | disclosed |
| US-7276500-B2 | Calcium channel blockers; cardiovascular disorders; antiarthritic agents | ABBOTT GMBH & CO. KG (DE) | 2007-10-02 | — | — | US | disclosed |
| US-6753327-B1 | NEURODEGENERATIVE DISORDER OR NEURONAL DAMAGE TREATMENT; INHIBITORS OF CALPAIN OR CATHEPSIN CYSTEINE PROTEASES; ANTIISCHEMIC AGENTS; REPERFUSION INJURIES | ABBOTT GMBH & CO. KG (DE) | 2004-06-22 | — | — | US | disclosed |
| US-20040082569-A1 | Calcium channel blockers; cardiovascular disorders; antiarthritic agents | ABBOTT GMBH & CO., KG | 2004-04-29 | — | — | 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 (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-20110275615-A1 | NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE | CBR3, CBR1, HRH4 | KIT 4478/4885FLT3 941/4885HDAC6 1207/4885 |
| US-20040082569-A1 | Calcium channel blockers; cardiovascular disorders; antiarthritic agents | CACNA1C, CACNA1E, RYR1 | KIT 4452/4885FLT3 3888/4885HDAC6 2091/4885 |
| US-20080113989-A1 | For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins | CAPN1, CAPNS1, CAPN2 | KIT 2845/4885FLT3 4224/4885HDAC6 203/4885 |
“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.