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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 2/20 | 0.42 |
| ▸ | CHAT | P28329 | 1/20 | 0.42 |
| ▸ | ATIC | P31939 | 2/20 | 0.41 |
| ▸ | SUMO2 | P61956 | 2/20 | 0.41 |
| ▸ | SUMO1 | P63165 | 2/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | IDE | P14735 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL25199732 | 0.89 | TTR (0.64) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL29363198 | 0.89 | TTR (0.75) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL6242 | 0.89 | TTR (0.75) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL30233642 | 0.89 | TTR (0.75) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL11013439 | 0.86 | TTR (0.67) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL460184 | 0.86 | TTR (0.72) | TTRCYP1A2APEX1AURKAAURKB | |
| Ammonia Solution, Strong SCHEMBL10954121 | 0.86 | TTR (0.72) | TTRCYP1A2APEX1AURKAAURKB | |
| SCHEMBL2290618 | 0.86 | TTR (0.72) | TTRCYP1A2APEX1AURKAAURKB | |
| Water SCHEMBL242080 | 0.86 | TTR (0.72) | TTRCYP1A2APEX1AURKAAURKB | |
| Hydrochloric Acid SCHEMBL7455908 | 0.86 | TTR (0.72) | TTRCYP1A2APEX1AURKAAURKB |
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-1740594-A1 | CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF | Sanofi-Aventis (FR) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103059-A1 | CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF | SANOFI-AVENTIS (FR) | 2005-11-03 | — | — | WO | disclosed |