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 | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
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 SCHEMBL28652453 | 0.98 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL29392612 | 0.98 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL29430099 | 0.93 | WDR5 (0.46) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL446685 | 0.93 | WDR5 (0.46) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL6600591 | 0.93 | WDR5 (0.46) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Bicarbonate SCHEMBL16371144 | 0.92 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| SCHEMBL5107 | 0.91 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHATDP1 | |
| SCHEMBL146878 | 0.91 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHATDP1 | |
| SCHEMBL29350037 | 0.91 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHATDP1 | |
| SCHEMBL29496111 | 0.91 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHATDP1 |
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-2118105-A1 | PURINE DERIVATIVES | Palau Pharma, S.A. (ES) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008090181-A1 | PURINE DERIVATIVES | PALAU PHARMA, S. A. (ES) | 2008-07-31 | — | — | WO | disclosed |