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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.30 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 12/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.32 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.32 |
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 SCHEMBL1229833 | 0.96 | CNR2 (0.35) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1229055 | 0.95 | CNR2 (0.38) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1227426 | 0.93 | ERN1 (0.35) | CNR2NPC1HPGDMAPK1RAB9A | |
| Acetic Acid SCHEMBL1228043 | 0.89 | GPR84 (0.35) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1227601 | 0.89 | L3MBTL1 (0.36) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1229903 | 0.89 | GPR84 (0.37) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1227923 | 0.89 | GPR84 (0.37) | CNR2GPR84NPC1HPGDMAPK1 | |
| Acetic Acid SCHEMBL1229488 | 0.89 | ALDH1A1 (0.36) | CNR2NPC1HPGDMAPK1RAB9A | |
| Acetic Acid SCHEMBL1228169 | 0.89 | ERN1 (0.39) | CNR2NPC1HPGDMAPK1RAB9A | |
| Acetic Acid SCHEMBL1228661 | 0.89 | ERN1 (0.36) | CNR2NPC1HPGDMAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |