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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL42070 | 0.88 | — | — | |
| SCHEMBL178530 | 0.86 | — | — | |
| SCHEMBL12570292 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1NOS3NOS1NOS2 | |
| SCHEMBL7963310 | 0.84 | — | — | |
| SCHEMBL12570289 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1NOS3NOS1NOS2 | |
| SCHEMBL10122628 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL25414584 | 0.84 | — | — | |
| SCHEMBL11454029 | 0.84 | — | — | |
| SCHEMBL10122625 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1NOS3NOS1NOS2 | |
| SCHEMBL12570288 | 0.84 | TDP1 (0.40) | ALDH1A1TDP1NOS3NOS1NOS2 |
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-113441109-B | Preparation method of composite modified spherical active carbon for gas defense | 南通大学 | 2023-11-07 | — | — | CN | disclosed |
| CN-113441109-A | Preparation method of compound modified spherical activated carbon for gas defense | 南通大学 | 2021-09-28 | — | — | CN | disclosed |