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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.58 |
| ▸ | TACR1 | P25103 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 SCHEMBL7387154 | 1.00 | AGTR2 (0.58) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL9712338 | 0.96 | AGTR2 (0.62) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL9712336 | 0.96 | AGTR2 (0.62) | AGTR2TACR1ALDH1A1 | |
| Acetic Acid SCHEMBL7384587 | 0.92 | AGTR2 (0.50) | AGTR2TACR1 | |
| Acetic Acid SCHEMBL7379961 | 0.91 | AGTR2 (0.49) | AGTR2TACR1 | |
| SCHEMBL7422588 | 0.87 | AGTR2 (0.52) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL7422576 | 0.87 | AGTR2 (0.52) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL7385930 | 0.86 | AGTR2 (0.51) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL7385924 | 0.86 | AGTR2 (0.51) | AGTR2TACR1ALDH1A1 | |
| SCHEMBL30743875 | 0.85 | AGTR2 (0.52) | AGTR2TACR1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995000498-A1 | N,N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5348955-A | Angiotensis II antagonists | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5344830-A | Anitinflammatory, cardiovascular, analgesic, central nervous system | MERCK & CO., INC. (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994013646-A1 | N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| US-5292726-A | N,N-diacylpiperazines | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |