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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL58713 | 0.93 | HTR2A (0.33) | DNM1CYP1A2CYP2D6HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL28055620 | 0.91 | HTR2A (0.32) | DNM1HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL28055592 | 0.91 | HTR2A (0.32) | DNM1HTR2AHRH1 | |
| SCHEMBL551460 | 0.91 | ALDH1A1 (0.35) | DNM1CYP1A2CYP2D6HTR2AHRH1 | |
| Water SCHEMBL28125507 | 0.89 | HTR2A (0.33) | CYP1A2CYP2D6HTR2AHRH1 | |
| SCHEMBL27759471 | 0.89 | HTR2A (0.33) | CYP1A2CYP2D6HTR2AHRH1 | |
| Carbimide SCHEMBL27427109 | 0.89 | HTR2A (0.33) | CYP1A2CYP2D6HTR2AHRH1 | |
| Water SCHEMBL27976893 | 0.89 | HTR2A (0.33) | CYP1A2CYP2D6HTR2AHRH1 | |
| Iodomethane SCHEMBL3061558 | 0.87 | HTR2A (0.32) | HTR2AHRH1 | |
| Methylene Chloride SCHEMBL27550128 | 0.86 | HTR2A (0.32) | HTR2AHRH1 |
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-106748484-A | A kind of composite fertilizer for wild rice stem | 陈福昌 | 2017-05-31 | — | — | CN | claimed |
| CN-106518570-A | Organic-inorganic compound fertilizer special for double-harvest water bamboo | 陈福昌 | 2017-03-22 | — | — | CN | claimed |