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 | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.81 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 8/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29371317 | 0.90 | ERN1 (1.00) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL2120180 | 0.90 | ERN1 (1.00) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL27945821 | 0.84 | ERN1 (0.67) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL28007480 | 0.84 | ERN1 (0.67) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL29285286 | 0.82 | ERN1 (0.69) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL29285288 | 0.81 | ERN1 (0.73) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| Glycine SCHEMBL29175396 | 0.81 | ERN1 (0.73) | ERN1MAPTKDM4ETDP1CYP3A4 | |
| SCHEMBL544809 | 0.80 | ERN1 (0.78) | ERN1TDP1CYP3A4TSHR | |
| SCHEMBL1620551 | 0.79 | ERN1 (0.60) | ERN1ALDH1A1LMNA | |
| SCHEMBL5883309 | 0.78 | ERN1 (0.58) | ERN1MAPTLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999393-B | Polydopamine Schiff base-copper complex catalyst and preparation method and application thereof | 南京大学 | 2022-09-02 | — | — | CN | claimed |
| CN-113999393-A | Polydopamine Schiff base-copper complex catalyst and preparation method and application thereof | 南京大学 | 2022-02-01 | — | — | CN | claimed |
| CN-113999393-B | Polydopamine Schiff base-copper complex catalyst and preparation method and application thereof | 南京大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-113999393-A | Polydopamine Schiff base-copper complex catalyst and preparation method and application thereof | 南京大学 | 2022-02-01 | — | — | CN | disclosed |
| CN-106831800-B | A kind of difunctional fluorescence probe of Rhodamine Derivatives class and application | 东南大学 | 2019-03-12 | — | — | CN | disclosed |