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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 16/20 | 0.48 |
| ▸ | CYSLTR2 | Q9NS75 | 15/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
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 SCHEMBL6136959 | 1.00 | CYSLTR1 (0.48) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL6136967 | 0.86 | CTSD (0.40) | CYSLTR1CYSLTR2 | |
| SCHEMBL6137019 | 0.83 | CYSLTR2 (0.46) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL6137141 | 0.83 | CYSLTR2 (0.46) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL9821841 | 0.73 | PPARG (0.55) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL10509694 | 0.71 | PPARG (0.57) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL11047159 | 0.70 | CYSLTR1 (0.56) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL10696738 | 0.70 | CYSLTR2 (0.58) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL11047156 | 0.70 | CYSLTR1 (0.56) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 | |
| SCHEMBL10953472 | 0.70 | GRM2 (0.65) | CYSLTR1CYSLTR2GRM2LMNACYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1011651-B1 | METHOD OF TREATING DIABETES AND RELATED DISEASE STATES | MERCK & CO INC (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-1011651-A1 | METHOD OF TREATING DIABETES AND RELATED DISEASE STATES | Merck & Co., Inc. (US) | 2000-06-28 | — | — | EP | disclosed |
| EP-1011651-A4 | METHOD OF TREATING DIABETES AND RELATED DISEASE STATES | MERCK & CO INC (US) | 2000-06-28 | — | — | EP | disclosed |
| US-6020382-A | Method of treating diabetes and related disease states | MERCK & CO., INC. (US) | 2000-02-01 | — | — | US | disclosed |
| US-5847008-A | Method of treating diabetes and related disease states | MERCK & CO., INC. (US) | 1998-12-08 | — | — | US | disclosed |
| WO-1997027847-A1 | METHOD OF TREATING DIABETES AND RELATED DISEASE STATES | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |
| EP-0106565-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-09-10 | — | — | EP | disclosed |
| EP-0106565-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-25 | — | — | EP | disclosed |