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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRR | Q9GZT4 | 2/20 | 0.51 |
| ▸ | PSAT1 | Q9Y617 | 2/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CTSH | P09668 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 6/20 | 0.47 |
| ▸ | PPARA | Q07869 | 5/20 | 0.47 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27782844 | 0.97 | SRR (0.54) | SRRPSAT1SCN9ACYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL28580203 | 0.89 | ALPI (0.58) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL132790 | 0.89 | ALPI (0.61) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL132409 | 0.89 | ALPI (0.61) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL616963 | 0.89 | ALPI (0.61) | SRRALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL1098660 | 0.87 | ALPI (0.59) | SRRALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL839857 | 0.87 | ALPI (0.59) | SRRALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL216055 | 0.87 | ALPI (0.59) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL7864444 | 0.87 | ALPI (0.59) | SRRALPIPKMPTGS1XIAP | |
| Fluoride SCHEMBL28204481 | 0.87 | ALPI (0.59) | SRRALPIPKMPTGS1XIAP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101555211-B | Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid | ZHEJIANG JIUZHOU PHARM CO LTD | 2012-01-25 | — | — | CN | disclosed |
| CN-101555211-A | Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid | ZHEJIANG JIUZHOU PHARMACEUTICA (CN) | 2009-10-14 | — | — | CN | disclosed |