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 | |
|---|---|---|---|---|
| ▸ | CDK4 known ✓ | P11802 | 1/20 | 0.36 |
| ▸ | CDK6 known ✓ | Q00534 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 12/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.37 |
| ▸ | PLK1 | P53350 | 7/20 | 0.37 |
| ▸ | AURKA | O14965 | 6/20 | 0.37 |
| ▸ | MERTK | Q12866 | 3/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.36 |
| ▸ | PLK2 | Q9NYY3 | 2/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 SCHEMBL1655197 | 0.91 | CDK2 (0.44) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL1658547 | 0.85 | PDPK1 (0.39) | CDK2PDPK1ALDH1A1 | |
| SCHEMBL6791715 | 0.83 | CDK2 (0.37) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| SCHEMBL9937727 | 0.83 | CDK2 (0.44) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL6792184 | 0.82 | CDK2 (0.42) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL6793621 | 0.81 | MAPKAPK2 (0.43) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL6795230 | 0.81 | FOS (0.42) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Trifluoroacetic Acid SCHEMBL9937516 | 0.80 | CDK2 (0.44) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL1658075 | 0.78 | MTOR (0.36) | CDK2PDPK1CCNA2CCNA1PLK1 | |
| Hydrochloric Acid SCHEMBL4162189 | 0.75 | CDK2 (0.63) | CDK2PDPK1CCNA2CCNA1PLK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | claimed |
| US-9023787-B2 | MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-05-05 | — | — | US | disclosed |
| US-20140037755-A1 | Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2014-02-06 | — | — | US | disclosed |
| US-8440610-B2 | Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-05-14 | — | — | US | disclosed |
| US-20120252737-A1 | Methods for Diagnosing and Treating Cancer | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-10-04 | — | — | US | disclosed |
| WO-2011041784-A1 | METHODS FOR DIAGNOSING AND TREATING CANCER | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-04-07 | — | — | WO | disclosed |
| US-20090181468-A1 | Methods and compositions for treating cellular proliferative diseases | YAFFE MICHAEL B | 2009-07-16 | — | — | US | disclosed |
| US-20090010927-A1 | Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-01-08 | — | — | US | disclosed |
| EP-1824498-A2 | METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES | THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2007-08-29 | — | — | EP | disclosed |
| US-20060115453-A1 | Methods and compositions for treating cellular proliferative diseases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-06-01 | — | — | US | disclosed |
| WO-2006053315-A2 | METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-05-18 | — | — | 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-20060115453-A1 | Methods and compositions for treating cellular proliferative diseases | MKI67, TP53, CCNC | CDK4 8/4885CDK6 44/4885CDK2 29/4885 |
| US-20140037755-A1 | Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells | MAPKAPK2, MAPKAP1, MAP3K2 | CDK4 292/4885CDK6 258/4885CDK2 77/4885 |
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | MKNK2, MAPKAPK2, MAP3K2 | CDK4 154/4885CDK6 139/4885CDK2 29/4885 |
| US-20090010927-A1 | Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells | MAPKAPK2, MAPKAP1, MAP3K2 | CDK4 292/4885CDK6 258/4885CDK2 77/4885 |
“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.