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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL231471 | 0.89 | TSHR (0.61) | ESR1ESR2TSHRMAPK1TDP1 | |
| Bromide SCHEMBL11313586 | 0.85 | TSHR (0.56) | ESR1ESR2TSHRMAPK1TDP1 | |
| Chlorophenothane SCHEMBL28155106 | 0.83 | TSHR (0.75) | ESR1ESR2TSHRMAPK1TDP1 | |
| SCHEMBL23149866 | 0.81 | TSHR (0.78) | ESR1ESR2TSHRMAPK1TDP1 | |
| Alcohol SCHEMBL28041790 | 0.74 | ACHE (0.53) | TSHRLMNAALDH1A1TRPA1IDO1 | |
| SCHEMBL23149874 | 0.71 | AOC3 (0.38) | ESR1ESR2TSHRMAPK1TDP1 | |
| Chlorophenothane SCHEMBL28353116 | 0.71 | TSHR (0.86) | ESR1ESR2TSHRMAPK1TDP1 | |
| SCHEMBL23149894 | 0.71 | AOC3 (0.38) | ESR1ESR2TSHRMAPK1TDP1 | |
| SCHEMBL23149895 | 0.71 | AOC3 (0.38) | ESR1ESR2TSHRMAPK1TDP1 | |
| SCHEMBL23149873 | 0.71 | ESR1 (0.39) | ESR1ESR2TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069316-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | Families of Spinal Muscular Atrophy (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008016973-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | FAMILIES OF SPINAL MUSCULAR ATROPHY (US) | 2008-02-07 | — | — | WO | disclosed |