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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951892 | 0.88 | MEN1 (0.68) | MAPTMEN1KMT2ALMNANPC1 | |
| SCHEMBL30342506 | 0.88 | MEN1 (0.68) | MAPTMEN1KMT2ALMNANPC1 | |
| Acetic Acid SCHEMBL1446325 | 0.87 | MAPT (0.59) | MAPTMEN1KMT2ALMNANPC1 | |
| SCHEMBL5458783 | 0.82 | NPC1 (0.59) | MAPTMEN1KMT2ALMNANPC1 | |
| Diphenylamine SCHEMBL6904395 | 0.82 | MAPT (0.71) | MAPTMEN1KMT2ANPC1RAB9A | |
| Diphenylamine SCHEMBL28553827 | 0.82 | MAPT (0.71) | MAPTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL1686631 | 0.82 | FADS1 (0.59) | MAPTMEN1KMT2ALMNANPC1 | |
| SCHEMBL11646107 | 0.80 | MEN1 (0.66) | MAPTMEN1KMT2ALMNANPC1 | |
| Acetic Acid SCHEMBL3557295 | 0.80 | PARP1 (0.52) | MAPTMEN1KMT2ALMNANPC1 | |
| SCHEMBL26204670 | 0.79 | ALDH1A1 (0.56) | MAPTMEN1KMT2ALMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1242069-B1 | ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES | EXOCELL INC (US) | 2005-06-29 | — | — | EP | disclosed |