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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.65 |
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.54 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
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 SCHEMBL4411000 | 1.00 | CA2 (0.65) | CA2CA1CPB2ZDHHC7GNAI3 | |
| SCHEMBL9597159 | 0.91 | CA2 (0.71) | CA2CA1CPB2ZDHHC7MAPK1 | |
| Hydrochloric Acid SCHEMBL28262170 | 0.85 | CA2 (0.62) | CA2CA1CPB2ZDHHC7MAPK1 | |
| SCHEMBL24477644 | 0.84 | CA2 (0.67) | CA2CA1CPB2ZDHHC7GNAI3 | |
| SCHEMBL3178684 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 | |
| SCHEMBL5741113 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 | |
| SCHEMBL11650069 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 | |
| SCHEMBL8963954 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 | |
| SCHEMBL2531207 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 | |
| SCHEMBL7784484 | 0.83 | CA2 (0.85) | CA2CA1ZDHHC7MAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150284340-A1 | QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS INC (US) | 2015-10-08 | — | — | US | disclosed |
| US-9024024-B2 | Quinazoline based EGFR inhibitors containing a zinc binding moiety | CURIS, INC. (US) | 2015-05-05 | — | — | US | disclosed |
| US-20140221403-A1 | QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8604044-B2 | Quinazoline based EGFR inhibitors containing a zinc binding moiety | CURIS, INC. (US) | 2013-12-10 | — | — | US | disclosed |
| EP-2061772-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | Curis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080221132-A1 | Multi-Functional Small Molecules as Anti-Proliferative Agents | CURIS, INC. | 2008-09-11 | — | — | US | disclosed |
| US-20080194578-A1 | inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent | CURIS, INC. | 2008-08-14 | — | — | US | disclosed |
| WO-2008033747-A9 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS INC (MA) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008033747-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS, INC. (US) | 2008-03-20 | — | — | WO | 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 (4 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-20080221132-A1 | Multi-Functional Small Molecules as Anti-Proliferative Agents | HDAC1, HDAC6, HDAC5 | CA2 2862/4885CA1 3759/4885CPB2 3775/4885 |
| US-20140221403-A1 | QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | EGFR, HDAC5, ERBB4 | CA2 2345/4885CA1 2879/4885CPB2 2535/4885 |
| US-20080194578-A1 | inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent | HDAC1, HDAC8, EGFR | CA2 1930/4885CA1 2553/4885CPB2 2698/4885 |
| US-20150284340-A1 | QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | EGFR, ERBB4, HDAC5 | CA2 2393/4885CA1 2906/4885CPB2 2577/4885 |
“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.