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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | MITF | O75030 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.65 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.65 |
| ▸ | MTNR1B | P49286 | 10/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.53 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980004 | 0.90 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF | |
| SCHEMBL555032 | 0.90 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF | |
| Acetic Acid SCHEMBL31248068 | 0.88 | MTNR1B (0.65) | SMN1; SMN2MTNR1BMTNR1APGRKDM4E | |
| Acetic Acid SCHEMBL4630472 | 0.84 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF | |
| Acetic Acid SCHEMBL4630367 | 0.84 | PARP10 (0.68) | SMN1; SMN2ALDH1A1KMT2AMTNR1BMTNR1A | |
| 4-Phenoxyaniline SCHEMBL4630332 | 0.84 | MAOA (0.75) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF | |
| Acetic Acid SCHEMBL4630421 | 0.82 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF | |
| Acetic Acid SCHEMBL4630447 | 0.81 | CYP3A4 (0.77) | SMN1; SMN2ALDH1A1KDM4EPOLBNPC1 | |
| Acetic Acid SCHEMBL28904976 | 0.80 | TDP1 (0.73) | SMN1; SMN2ALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL554191 | 0.80 | ALDH1A1 (0.91) | SMN1; SMN2ALDH1A1MEN1KMT2AMITF |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |