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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 SCHEMBL1228073 | 0.92 | MEN1 (0.49) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1228312 | 0.89 | MAPT (0.47) | MEN1KMT2AALDH1A1SMN1; SMN2USP2 | |
| Acetic Acid SCHEMBL1228382 | 0.89 | ALOX5 (0.52) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1230401 | 0.87 | ALDH1A1 (0.47) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1229102 | 0.86 | KMT2A (0.41) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1227957 | 0.86 | MAPT (0.45) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1228046 | 0.84 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1229490 | 0.84 | MAPT (0.54) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1229397 | 0.83 | CA12 (0.39) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E | |
| Acetic Acid SCHEMBL1230040 | 0.83 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1SMN1; SMN2KDM4E |
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 |