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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | IDO1 | P14902 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALPL | P05186 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23220318 | 0.95 | IDO1 (0.68) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL3822948 | 0.85 | MAPT (0.81) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL30557433 | 0.85 | MAPT (0.81) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL13753680 | 0.83 | POLB (0.70) | KMT2AMEN1IDO1MAPTPOLB | |
| Alcohol SCHEMBL28251587 | 0.83 | MAPT (0.64) | KMT2AMEN1IDO1MAPTGAA | |
| SCHEMBL12585057 | 0.81 | MAPT (0.69) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL457585 | 0.80 | IDO1 (0.63) | KMT2AMEN1IDO1MAPTALDH1A1 | |
| SCHEMBL29838502 | 0.79 | KMT2A (0.62) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL73372 | 0.79 | KMT2A (0.62) | KMT2AMEN1IDO1MAPTPOLB | |
| SCHEMBL6811108 | 0.79 | MAPT (0.76) | KMT2AMEN1IDO1MAPTPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106674104-B | Fleraxacin aldehyde contracting 4- arylamino thiourea derivatives and its preparation method and application | 郑州工业应用技术学院 | 2019-05-31 | — | — | CN | disclosed |
| 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 |