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 | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8542900 | 0.90 | ABCG2 (0.74) | ABCG2SMN1; SMN2GAAPKMALDH1A1 | |
| Acetic Acid SCHEMBL27798760 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2GAAPKMCTNNB1NPC1 | |
| Acetic Acid Methyl Ester SCHEMBL27675432 | 0.85 | ABCG2 (0.58) | ABCG2SMN1; SMN2GAAPKMALDH1A1 | |
| Benzene SCHEMBL28224106 | 0.84 | ABCG2 (0.93) | ABCG2SMN1; SMN2PKMALDH1A1TSHR | |
| Acetoacetic Acid SCHEMBL7812092 | 0.82 | ABCG2 (0.50) | ABCG2SMN1; SMN2GAAPKMALDH1A1 | |
| Glycolic Acid SCHEMBL28363241 | 0.82 | ABCG2 (0.61) | ABCG2SMN1; SMN2PKMALDH1A1TSHR | |
| SCHEMBL8711 | 0.82 | — | — | |
| SCHEMBL4424499 | 0.82 | — | — | |
| SCHEMBL14417491 | 0.82 | ABCG2 (1.00) | ABCG2SMN1; SMN2PKMALDH1A1TSHR | |
| SCHEMBL29353984 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104387399-B | The synthetic method of oxidation Fructus Nandinae Domesticae phenanthrene alkali and its application | 广西师范大学 | 2017-03-01 | — | — | CN | disclosed |