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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 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 SCHEMBL1228913 | 0.89 | CA2 (0.38) | ALDH1A1CA2CA1G6PDMAOB | |
| Acetic Acid SCHEMBL1228860 | 0.88 | CA2 (0.36) | ALDH1A1CA2CA1G6PDMAOB | |
| Acetic Acid SCHEMBL1229236 | 0.87 | KMT2A (0.37) | ALDH1A1CA2CA1G6PDMAOB | |
| Acetic Acid SCHEMBL1229526 | 0.87 | ALDH1A1 (0.38) | ALDH1A1CA2CA1MAOBKMT2A | |
| Acetic Acid SCHEMBL1228300 | 0.87 | ALDH1A1 (0.38) | ALDH1A1CA2CA1MAOBKMT2A | |
| Acetic Acid SCHEMBL1229382 | 0.87 | MAPT (0.35) | ALDH1A1G6PDMAOBKMT2AMAPT | |
| Acetic Acid SCHEMBL1228446 | 0.87 | MAPT (0.38) | ALDH1A1CA2G6PDKMT2AMAPT | |
| Acetic Acid SCHEMBL1227659 | 0.86 | CA1 (0.35) | ALDH1A1CA2CA1G6PDMAOB | |
| Acetic Acid SCHEMBL1228066 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CA2CA1MAOBKMT2A | |
| Acetic Acid SCHEMBL1230143 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CA2CA1MAOBKMT2A |
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 |