Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 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 | |
|---|---|---|---|---|
| SCHEMBL27023033 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14506909 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14034527 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL896298 | 0.94 | — | — | |
| SCHEMBL3438657 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8053 | 0.94 | — | — | |
| SCHEMBL60330 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL18228339 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL17901788 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19046575 | 0.94 | TDP1 (0.57) | CYP1A2TDP1ALDH1A1KDM4ESMN1; SMN2 |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1845973-B1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LTD (GB) | 2015-08-12 | — | — | EP | disclosed |
| US-9051278-B2 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators | ASTEX THERAPEUTICS, LTD. (GB) | 2015-06-09 | — | — | US | disclosed |
| EP-2256106-B1 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators | ASTEX THERAPEUTICS LTD (GB) | 2015-05-06 | — | — | EP | disclosed |
| US-20140371213-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | ASTEX THERAPEUTICS, LTD. (GB) | 2014-12-18 | — | — | US | disclosed |
| US-8779147-B2 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators | ASTEX THERAPEUTICS, LTD. (GB) | 2014-07-15 | — | — | US | disclosed |
| US-8404718-B2 | Combinations of pyrazole kinase inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2013-03-26 | — | — | US | disclosed |
| EP-1651612-B9 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2012-09-05 | — | — | EP | disclosed |
| US-20120213791-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | ASTEX THERAPEUTICS, LTD. (GB) | 2012-08-23 | — | — | US | disclosed |
| US-8080666-B2 | 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators | ASTEX THERAPEUTICS, LTD. (GB) | 2011-12-20 | — | — | US | disclosed |
| US-20110003799-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | ASTEX THERAPEUTICS, LTD. (GB) | 2011-01-06 | — | — | US | disclosed |
| WO-2006077424-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077428-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| EP-1651612-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | Astex Therapeutics Limited (GB) | 2006-05-03 | — | — | EP | disclosed |
| US-20060069103-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION | 2006-03-30 | — | — | US | disclosed |
| US-20060014755-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | MERCK SHARP & DOHME CORP. | 2006-01-19 | — | — | US | disclosed |
| US-6903102-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2005-06-07 | — | — | US | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |
| US-20040132736-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION | 2004-07-08 | — | — | US | disclosed |
| EP-1423381-A1 | 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES | Schering Corporation (US) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003022835-A1 | 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES | SCHERING CORPORATION (US) | 2003-03-20 | — | — | 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 (6 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-20060069103-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | HSD17B3, HSD17B1, HSD17B11 | CYP1A2 83/4885TDP1 796/4885ALDH1A1 57/4885 |
| US-20120213791-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | CDK3, CDK1, CDKL3 | CYP1A2 1241/4885TDP1 958/4885ALDH1A1 3065/4885 |
| US-20040132736-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | HSD17B3, HSD17B1, HSD17B11 | CYP1A2 83/4885TDP1 665/4885ALDH1A1 52/4885 |
| US-20060014755-A1 | 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | HSD17B3, HSD17B1, HSD17B11 | CYP1A2 82/4885TDP1 818/4885ALDH1A1 59/4885 |
| US-20140371213-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | CDK1, CDK3, CDK13 | CYP1A2 908/4885TDP1 2533/4885ALDH1A1 3282/4885 |
| US-20110003799-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS | CDK1, CDK3, CDK13 | CYP1A2 908/4885TDP1 2533/4885ALDH1A1 3282/4885 |
“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.