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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL29186276 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Dioxane SCHEMBL263465 | 1.00 | — | — | |
| Dioxane SCHEMBL7807843 | 0.96 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Dioxane SCHEMBL28453643 | 0.96 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Dioxane SCHEMBL4586354 | 0.96 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Oxirane SCHEMBL29260 | 0.96 | — | — | |
| Oxirane SCHEMBL20305771 | 0.96 | — | — | |
| Oxirane SCHEMBL11591854 | 0.96 | TSHR (0.55) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Dioxane SCHEMBL28447525 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRTTRKDM4ESMN1; SMN2 | |
| Oxirane SCHEMBL18625598 | 0.92 | — | — |
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-116948203-A | Phenylalanine ferroelectric-dielectric functional material and preparation method thereof | 新疆农业大学 | 2023-10-27 | — | — | CN | claimed |
| CN-116948203-A | Phenylalanine ferroelectric-dielectric functional material and preparation method thereof | 新疆农业大学 | 2023-10-27 | — | — | CN | disclosed |