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 | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 15/20 | 0.62 |
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2329779 | 0.96 | CCR2 (0.67) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL4704983 | 0.96 | CCR2 (0.67) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL2462379 | 0.96 | CCR2 (0.67) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL29418355 | 0.92 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL2460843 | 0.92 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL2462209 | 0.92 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL203904 | 0.92 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL203905 | 0.92 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL7322614 | 0.91 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA | |
| SCHEMBL7320500 | 0.91 | CCR2 (0.60) | CCR2CCR1CCR5CXCR4GAA |
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-0802923-A1 | 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-10-29 | — | — | EP | disclosed |
| WO-1995035311-A9 | 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS | — | 1996-02-01 | — | — | WO | disclosed |
| WO-1995035311-A1 | 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1995-12-28 | — | — | WO | disclosed |