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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.40 |
| ▸ | TUBB | P07437 | 3/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30374 | 0.74 | PTGS2 (1.00) | PTGS2MAPTTUBB1TUBB4ATUBB | |
| SCHEMBL4002855 | 0.74 | CYP19A1 (0.44) | PTGS2POLBALOX15HTTALDH1A1 | |
| SCHEMBL4003474 | 0.71 | PTGS2 (0.47) | PTGS2POLBHTTMEN1KMT2A | |
| SCHEMBL10355749 | 0.71 | PTGS2 (0.63) | PTGS2POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL15043869 | 0.69 | PTGS2 (0.51) | PTGS2POLBMEN1KMT2ATUBB1 | |
| SCHEMBL14048547 | 0.69 | PTGS2 (0.64) | PTGS2TSHRMAPK10TUBB1TUBB4A | |
| SCHEMBL28090838 | 0.68 | MAPK10 (0.51) | PTGS2TSHRMAPK10POLBMEN1 | |
| SCHEMBL1020821 | 0.68 | PTGS2 (0.57) | PTGS2MAPTTUBB1TUBB4ATUBB | |
| SCHEMBL5722457 | 0.67 | SMN1; SMN2 (0.50) | TSHRPOLBALDH1A1LMNAKDM4E | |
| Acetic Acid SCHEMBL6714814 | 0.67 | MEN1 (0.66) | PTGS2TSHRMAPK10MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5132463-A | Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders | MERCK & CO., INC. (US) | 1992-07-21 | — | — | US | disclosed |
| EP-0257921-B1 | NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS | MERCK & CO. INC. (US) | 1992-04-15 | — | — | EP | disclosed |
| US-5047420-A | Platelet activating factor | MERCK & CO., INC. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0257921-A2 | New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists | MERCK & CO. INC. (US) | 1988-03-02 | — | — | EP | disclosed |