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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16619850 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL96635 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EGAAHTT | |
| Hydrochloric Acid SCHEMBL23711567 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL7457620 | 0.85 | TUBB1 (0.55) | ALDH1A1KDM4EHSD17B10MAPK1TSHR | |
| Syringaldehyde SCHEMBL28294707 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4EGAAHTT | |
| Phosphoric Acid SCHEMBL26634475 | 0.85 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL14302478 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL30634410 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL12830746 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EGAAHTT | |
| SCHEMBL7844422 | 0.82 | TUBB1 (0.57) | ALDH1A1HPGDKDM4EHTTMAPK1 |
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-106278857-A | α, β unsaturated carbonyl tetralone derivative and application thereof | 武汉理工大学 | 2017-01-04 | — | — | CN | disclosed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | disclosed |