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 | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL17024417 | 0.89 | MAP3K14 (0.43) | MAP3K14CRBNNPC1CREBBPCYP19A1 | |
| Ethane SCHEMBL28857929 | 0.89 | MAP3K14 (0.46) | MAP3K14CRBNNPC1CREBBPBRD4 | |
| SCHEMBL15494454 | 0.89 | — | — | |
| SCHEMBL11288 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL25176856 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3986242 | 0.86 | — | — | |
| Phosphine SCHEMBL22345181 | 0.86 | — | — | |
| SCHEMBL31244467 | 0.86 | — | — | |
| SCHEMBL320576 | 0.86 | — | — | |
| SCHEMBL114368 | 0.86 | MAP3K14 (0.38) | MAP3K14CRBNNPC1CREBBPBRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108379664-A | It is a kind of to be used to build two-layer compound holder of full thickness skin and preparation method thereof | 广东工业大学 | 2018-08-10 | — | — | CN | claimed |
| CN-108175857-A | For near infrared light excitation lower bismuth sulfide-zinc protoporphyrin composite material and preparation method and application with photodynamic therapy for cancer property | 中国科学院长春应用化学研究所 | 2018-06-19 | — | — | CN | claimed |
| CN-108175857-A | For near infrared light excitation lower bismuth sulfide-zinc protoporphyrin composite material and preparation method and application with photodynamic therapy for cancer property | 中国科学院长春应用化学研究所 | 2018-06-19 | — | — | CN | disclosed |