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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.72 |
| ▸ | RXRB | P28702 | 1/20 | 0.72 |
| ▸ | RXRG | P48443 | 1/20 | 0.72 |
| ▸ | PTGER1 | P34995 | 10/20 | 0.62 |
| ▸ | PTGER4 | P35408 | 5/20 | 0.62 |
| ▸ | PTGER3 | P43115 | 5/20 | 0.62 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.62 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | ERN1 | O75460 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | LIPE | Q05469 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL201074 | 0.89 | RXRA (0.70) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL5096390 | 0.86 | RXRA (0.67) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL13740358 | 0.86 | RXRA (0.75) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL9526423 | 0.84 | PTGER1 (0.72) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL3759214 | 0.84 | RXRA (0.88) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL5109238 | 0.82 | PTGER1 (0.66) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL13738963 | 0.82 | RXRA (0.71) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL16220780 | 0.82 | RXRA (0.66) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL17585417 | 0.81 | RXRA (0.69) | RXRARXRBRXRGPTGER1PTGER4 | |
| SCHEMBL10093045 | 0.81 | SYK (0.63) | RXRARXRBRXRGPTGER1PTGER4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215043-B1 | CARBON LINKED MODULATORS OF Y-SECRETASE | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-06 | — | — | EP | disclosed |
| CN-101084178-B | (biphenyl) carboxylic acids and derivatives thereof | CELLZOME AG | 2012-03-28 | — | — | CN | disclosed |
| CN-101084178-A | (Biphenyl) carboxylic acids and derivatives thereof | CELLZOME AG (DE) | 2007-12-05 | — | — | CN | disclosed |
| EP-1650183-A1 | (Benzyloxy-biphenyl) acetic acids and derivatives thereof and their use in therapy | CELLZOME AG (DE) | 2006-04-26 | — | — | EP | disclosed |