Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28248488 | 0.91 | GAA (0.51) | GAAKMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4507226 | 0.72 | — | — | |
| Alcohol SCHEMBL28158907 | 0.72 | ALDH1A1 (0.59) | GAAKMT2AALDH1A1MAPTIDO1 | |
| SCHEMBL18703866 | 0.70 | — | — | |
| Alcohol SCHEMBL16401346 | 0.69 | GAA (0.68) | GAAALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL4507221 | 0.69 | — | — | |
| SCHEMBL12822285 | 0.68 | RAB9A (0.57) | GAAKMT2AALDH1A1MAPTSMN1; SMN2 | |
| Alcohol SCHEMBL28251608 | 0.67 | IDO1 (0.85) | GAAKMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4935890 | 0.66 | — | — | |
| SCHEMBL27601040 | 0.66 | SMN1; SMN2 (0.50) | GAAKMT2AALDH1A1SMN1; SMN2KDM4C |
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-106699779-B | Rufloxacin aldehyde contracting 4- arylamino thiourea derivatives and its preparation method and application | 郑州工业应用技术学院 | 2018-11-09 | — | — | CN | disclosed |