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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 15/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.41 |
| ▸ | WEE1 | P30291 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 SCHEMBL4649700 | 0.94 | CNR2 (0.59) | CNR2PDCD1CD274CYP1A2CYP2D6 | |
| SCHEMBL14005870 | 0.93 | CNR2 (0.51) | CNR2PDCD1CD274PRKDCEGFR | |
| SCHEMBL14005877 | 0.89 | CNR2 (0.49) | CNR2PDCD1CD274PRKDCEGFR | |
| Acetic Acid SCHEMBL4649760 | 0.87 | CNR2 (0.58) | CNR2PDCD1CD274CYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL4909969 | 0.87 | CNR2 (0.51) | CNR2PDCD1CD274PRKDC | |
| SCHEMBL14006027 | 0.86 | CNR2 (0.48) | CNR2PDCD1CD274PRKDCEGFR | |
| SCHEMBL14005907 | 0.86 | CNR2 (0.58) | CNR2PRKDCEGFRCYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL4649623 | 0.86 | CNR2 (0.51) | CNR2PDCD1CD274PRKDC | |
| Hydrochloric Acid SCHEMBL4648739 | 0.85 | CNR2 (0.47) | CNR2PDCD1CD274PRKDCEGFR | |
| Acetic Acid SCHEMBL4649759 | 0.83 | CNR2 (0.51) | CNR2PDCD1CD274PRKDCEGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718613-B1 | PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2008-09-03 | — | — | EP | disclosed |