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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 5/20 | 0.56 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.41 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.51 |
| ▸ | CDK7 | P50613 | 3/20 | 0.51 |
| ▸ | AKT1 | P31749 | 3/20 | 0.50 |
| ▸ | GPR142 | Q7Z601 | 4/20 | 0.43 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1601674 | 0.81 | AKT1 (0.74) | CDK2AKT1 | |
| Hydrochloric Acid SCHEMBL1600796 | 0.81 | MMP3 (0.50) | ROCK1CDK2AKT1NOX1ROCK2 | |
| SCHEMBL14471936 | 0.80 | AKT1 (0.60) | CDK2AKT1 | |
| SCHEMBL2685334 | 0.80 | GPR142 (0.60) | ROCK1AKT1GPR142NOX1 | |
| SCHEMBL2685328 | 0.80 | GPR142 (0.60) | ROCK1AKT1GPR142NOX1 | |
| SCHEMBL6853364 | 0.80 | CDK7 (0.76) | CDK2CDK7AKT1 | |
| SCHEMBL7068318 | 0.80 | CDK7 (0.76) | CDK2CDK7AKT1 | |
| Trifluoroacetic Acid SCHEMBL1601858 | 0.79 | AKT1 (0.55) | ROCK1CDK2AKT1 | |
| SCHEMBL4900303 | 0.79 | AKT1 (0.51) | ROCK1CDK2AKT1ROCK2 | |
| SCHEMBL4900218 | 0.79 | AKT1 (0.51) | ROCK1CDK2AKT1ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1809282-B1 | THIADIAZOLE COMPOUNDS AND METHODS OF USE | AMGEN INC (US) | 2013-01-09 | — | — | EP | disclosed |
| US-7919514-B2 | Protein kinase B inhibitors; anticarcinogenic, antiinflammatory and antiproliferative agents; metabolic disorders; 3-(3-fluoro-phenyl)-N-[5-(3-methyl-1H-indazol-5-yl)-[1,3,4]thiadiazol-2-yl]-propane-1,2-diamine and derivatives | AMGEN INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7700636-B2 | Thiadiazole compounds and methods of use | AMGEN INC. (US) | 2010-04-20 | — | — | US | disclosed |
| US-20080269243-A1 | Thiadiazole compounds and methods of use | AMGEN INC. (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080255145-A1 | Thiadiazole compounds and methods of use | AMGEN INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-7354944-B2 | Thiadiazole compounds and methods of use | AMGEN INC. (US) | 2008-04-08 | — | — | US | disclosed |
| EP-1809282-A2 | THIADIAZOLE COMPOUNDS AND METHODS OF USE | Amgen, Inc (US) | 2007-07-25 | — | — | EP | disclosed |
| US-20060154961-A1 | Thiadiazole compounds and methods of use | AMGEN INC. | 2006-07-13 | — | — | US | disclosed |
| WO-2006044860-A2 | THIADIAZOLE COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2006-04-27 | — | — | 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 (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-20080255145-A1 | Thiadiazole compounds and methods of use | PDK2, PDK1, PANK2 | ROCK1 726/4885PIK3CD 135/4885PIK3CA 146/4885 |
| US-20080269243-A1 | Thiadiazole compounds and methods of use | PDK2, PDK1, PANK2 | ROCK1 726/4885PIK3CD 135/4885PIK3CA 146/4885 |
| US-20060154961-A1 | Thiadiazole compounds and methods of use | PDK2, PDK1, PANK2 | ROCK1 726/4885PIK3CD 135/4885PIK3CA 146/4885 |
“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.