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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
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 SCHEMBL1229490 | 0.91 | MAPT (0.54) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1229561 | 0.88 | MAPT (0.56) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1227528 | 0.88 | MAPT (0.46) | MAPTSMN1; SMN2ALDH1A1KDM4EEGFR | |
| Acetic Acid SCHEMBL1227374 | 0.83 | MAPT (0.57) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1227533 | 0.83 | MAPT (0.57) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1228073 | 0.83 | MEN1 (0.49) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1228781 | 0.83 | GAA (0.52) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| SCHEMBL23644527 | 0.82 | MAPT (0.64) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| SCHEMBL18489461 | 0.82 | MAPT (0.64) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 | |
| Acetic Acid SCHEMBL1228922 | 0.82 | MAPT (0.51) | MAPTSMN1; SMN2ALDH1A1KDM4EMEN1 |
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 |