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 | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 9/20 | 0.68 |
| ▸ | PARP15 | Q460N3 | 3/20 | 0.67 |
| ▸ | PARP14 | Q460N5 | 3/20 | 0.67 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.67 |
| ▸ | TNKS | O95271 | 1/20 | 0.67 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 2/20 | 0.61 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.58 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | F2 | P00734 | 1/20 | 0.53 |
| ▸ | F10 | P00742 | 1/20 | 0.53 |
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 SCHEMBL4630327 | 0.85 | PARP10 (0.89) | PARP10PARP15PARP14PARP2TNKS | |
| Acetic Acid SCHEMBL4630467 | 0.85 | PARP10 (0.64) | PARP10PARP15PARP14PARP2TNKS | |
| Acetic Acid SCHEMBL31248068 | 0.85 | MTNR1B (0.65) | PARP1MTNR1BMTNR1APGRSMN1; SMN2 | |
| Acetic Acid SCHEMBL4630370 | 0.84 | SMN1; SMN2 (0.81) | MTNR1BMTNR1AALDH1A1KMT2APGR | |
| SCHEMBL1877592 | 0.84 | CA1 (0.63) | CA1CA2MTNR1BMTNR1AALDH1A1 | |
| Acetic Acid SCHEMBL4630415 | 0.83 | PARP10 (0.60) | PARP10PARP15PARP14PARP2TNKS | |
| SCHEMBL13687397 | 0.83 | PARP10 (0.78) | PARP10PARP15PARP14PARP2TNKS | |
| SCHEMBL16378706 | 0.82 | MTNR1B (0.62) | MTNR1BMTNR1AKMT2APGRSMN1; SMN2 | |
| Acetic Acid SCHEMBL4630445 | 0.82 | PARP1 (0.89) | PARP10PARP15PARP14PARP2TNKS | |
| Acetic Acid SCHEMBL28396208 | 0.82 | PARP10 (0.88) | PARP10PARP15PARP14PARP2PARP1 |
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 |