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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 SCHEMBL1228597 | 0.90 | CA1 (0.38) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1229155 | 0.90 | ALDH1A1 (0.41) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1229949 | 0.89 | CA1 (0.36) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1227897 | 0.89 | HIF1A (0.40) | CA1CA2ALDH1A1P2RX1TMPRSS4 | |
| Acetic Acid SCHEMBL1229381 | 0.88 | CA1 (0.36) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1228611 | 0.86 | CA1 (0.41) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1228909 | 0.86 | ALDH1A1 (0.47) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 | |
| Acetic Acid SCHEMBL1229492 | 0.85 | KMT2A (0.39) | KMT2ASMN1; SMN2ALDH1A1P2RX1MAPT | |
| Acetic Acid SCHEMBL1227309 | 0.85 | KMT2A (0.42) | KMT2ASMN1; SMN2CA2ALDH1A1P2RX1 | |
| Acetic Acid SCHEMBL1228679 | 0.83 | ALDH1A1 (0.41) | KMT2ASMN1; SMN2CA1CA2ALDH1A1 |
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 |