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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL308254 | 0.87 | — | — | |
| SCHEMBL20835972 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TSHR | |
| SCHEMBL308255 | 0.82 | — | — | |
| SCHEMBL23505751 | 0.80 | TSHR (0.33) | TSHR | |
| SCHEMBL13983739 | 0.80 | — | — | |
| Acetic Acid SCHEMBL17748214 | 0.76 | ALDH1A1 (0.48) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL25283581 | 0.74 | — | — | |
| Acetic Acid SCHEMBL31365285 | 0.74 | FFAR3 (0.54) | FFAR3LCKFYNTSHR | |
| Acetic Acid SCHEMBL1400947 | 0.73 | — | — | |
| Bicarbonate SCHEMBL22319232 | 0.71 | SMN1; SMN2 (0.43) | ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0181312-B1 | PROCESS FOR PREPARATION OF SUBSTITUTED PYRIDINES | Monsanto Company (US) | 1991-04-03 | — | — | EP | disclosed |
| US-4824954-A | FROM ACETONE DIESTER 4-1AMINO-2,3-BIS/HALOALKYL-3,5-PYRIDINEDICARBOXYLATE | MONSANTO COMPANY (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0181312-A2 | Process for preparation of substituted pyridines | Monsanto Company (US) | 1986-05-14 | — | — | EP | disclosed |