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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 SCHEMBL7386453 | 1.00 | AGTR2 (0.54) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL30451454 | 0.96 | AGTR2 (0.58) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL30743851 | 0.85 | AGTR2 (0.52) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL7386450 | 0.85 | AGTR2 (0.47) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL27799879 | 0.76 | MAPT (0.47) | — | |
| SCHEMBL12292882 | 0.76 | MAPT (0.47) | — | |
| Toluene SCHEMBL3090911 | 0.75 | MAPT (0.39) | SMN1; SMN2 | |
| SCHEMBL27799875 | 0.75 | SIGMAR1 (0.58) | ALDH1A1POLBL3MBTL1 | |
| SCHEMBL7388960 | 0.74 | ALDH1A1 (0.61) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL7467929 | 0.71 | ALDH1A1 (0.77) | AGTR2ALDH1A1POLBSMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |