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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.36 |
| ▸ | CA12 | O43570 | 6/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | SRC | P12931 | 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 SCHEMBL1227368 | 0.94 | ACHE (0.37) | ACHECA12CA2CA9ERN1 | |
| Acetic Acid SCHEMBL1227316 | 0.89 | ACHE (0.37) | ACHEERN1MEN1KMT2AMAPT | |
| Acetic Acid SCHEMBL1228735 | 0.86 | MEN1 (0.36) | CA12CA2CA9ERN1MEN1 | |
| Acetic Acid SCHEMBL1228535 | 0.86 | CA12 (0.37) | ACHECA12CA2CA9ERN1 | |
| Acetic Acid SCHEMBL1229124 | 0.83 | KDM4E (0.46) | CA12CA2CA9 | |
| Acetic Acid SCHEMBL1229410 | 0.83 | CA12 (0.33) | CA12CA2CA9CA1 | |
| Acetic Acid SCHEMBL1228788 | 0.83 | GPR84 (0.35) | CA12CA2CA9CA1 | |
| Acetic Acid SCHEMBL1228373 | 0.82 | ALDH1A1 (0.41) | ACHECA12CA2CA9MEN1 | |
| Acetic Acid SCHEMBL1228288 | 0.82 | SIRT2 (0.34) | ACHECA12CA2CA9MEN1 | |
| Acetic Acid SCHEMBL1227807 | 0.82 | GPR84 (0.40) | CA12CA2CA9MEN1KMT2A |
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 |