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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL239610 | 0.83 | — | — | |
| SCHEMBL14751187 | 0.83 | — | — | |
| SCHEMBL21100089 | 0.83 | — | — | |
| Tromethamine SCHEMBL5851947 | 0.82 | MEN1 (0.56) | MEN1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL1863919 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL635546 | 0.79 | — | — | |
| SCHEMBL7321505 | 0.79 | — | — | |
| Alcohol SCHEMBL9167897 | 0.75 | — | — | |
| Tert-Butylamine SCHEMBL8359529 | 0.75 | — | — | |
| Isopropylamine SCHEMBL5724241 | 0.75 | — | — |
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-106117185-A | 2,4 2 nitrogen-containing group substituted pyrimidines compounds and its preparation method and application | 广州科擎新药开发有限公司 | 2016-11-16 | — | — | CN | disclosed |