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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10803247 | 0.94 | ALDH1A1 (0.78) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL29390378 | 0.87 | — | — | |
| SCHEMBL14598 | 0.87 | — | — | |
| Acetoacetic Acid SCHEMBL11236488 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| Chloroacetic Acid SCHEMBL11871066 | 0.85 | ALDH1A1 (0.64) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| Cadaverine Tartrate SCHEMBL28859328 | 0.85 | ALDH1A1 (0.64) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL6469327 | 0.84 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL892262 | 0.84 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL21840888 | 0.84 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2 | |
| SCHEMBL7772203 | 0.84 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738269-B1 | PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY | URIACH & CIA SA J (ES) | 2000-04-26 | — | — | EP | disclosed |
| US-5705504-A | PLATELET ACTIVATING FACTOR | J. URIACH & CIA, S.A. (ES) | 1998-01-06 | — | — | US | disclosed |