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.
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 | |
|---|---|---|---|---|
| SCHEMBL164741 | 0.87 | — | — | |
| Bromide SCHEMBL11876634 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5083090 | 0.83 | — | — | |
| Iodide SCHEMBL35210416 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL15255061 | 0.83 | — | — | |
| Oxalic Acid SCHEMBL28088338 | 0.77 | RNPEP (0.39) | — | |
| Ether SCHEMBL7147588 | 0.77 | TSHR (0.33) | — | |
| Cystamine SCHEMBL28296869 | 0.75 | MAPT (0.69) | — | |
| SCHEMBL10894495 | 0.73 | TSHR (0.30) | — | |
| Ethylenediamine SCHEMBL4184347 | 0.71 | ALDH1A1 (0.60) | — |
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-104557720-B | A kind of preparation method of cimetidine | 盐城凯利药业有限公司 | 2017-03-15 | — | — | CN | disclosed |