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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | FYN | P06241 | 3/20 | 0.46 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 3/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | LDHB | P07195 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4631508 | 0.84 | TSHR (0.44) | FYNALDH1A1HPGD | |
| SCHEMBL21170486 | 0.80 | MET (0.38) | FYNMAP2K4KDM1AHPGDSALDH1A1 | |
| SCHEMBL18673792 | 0.78 | KDM1A (0.51) | PARP1FYNMAP2K4KDM1AHPGDS | |
| SCHEMBL5563045 | 0.78 | GABRG2 (0.56) | ERN1 | |
| SCHEMBL12269989 | 0.75 | PARP1 (0.53) | PARP1MAP2K4KDM1ACSF1RFLT1 | |
| SCHEMBL4631505 | 0.73 | NPC1 (0.55) | FYNKDM1AALDH1A1 | |
| SCHEMBL12288261 | 0.73 | ADORA1 (0.51) | ATRALDH1A1HPGD | |
| SCHEMBL12288255 | 0.73 | CCNE2 (0.47) | PARP1FYNMAP2K4KDM1AHPGDS | |
| Acetic Acid SCHEMBL28255011 | 0.73 | PARP1 (0.63) | PARP1DHODH | |
| SCHEMBL31422694 | 0.73 | PARP1 (0.64) | PARP1DHODHERN1 |
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 2 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 | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |