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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 9/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 SCHEMBL1228661 | 0.95 | ERN1 (0.36) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1229488 | 0.91 | ALDH1A1 (0.36) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1228209 | 0.91 | L3MBTL1 (0.36) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1230034 | 0.90 | ERN1 (0.40) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1229855 | 0.89 | ALDH1A1 (0.40) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1229833 | 0.89 | CNR2 (0.35) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1229664 | 0.88 | L3MBTL1 (0.39) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1228952 | 0.88 | ALDH1A1 (0.33) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1229535 | 0.88 | ALDH1A1 (0.33) | ALDH1A1GAAALOX12HSD17B10NPC1 | |
| Acetic Acid SCHEMBL1227426 | 0.86 | ERN1 (0.35) | ALDH1A1GAAALOX12HSD17B10NPC1 |
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 |