Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PGK1 | P00558 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL9839291 | 0.81 | PGK1 (0.33) | ALDH1A1PGK1MAPK14 | |
| SCHEMBL9767117 | 0.81 | — | — | |
| SCHEMBL2797723 | 0.79 | KDM4E (0.50) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL24411060 | 0.78 | KDM4E (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL20500278 | 0.78 | CYP1A2 (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL31281486 | 0.78 | CYP1A2 (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL15022608 | 0.76 | KDM4E (0.57) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL5638194 | 0.75 | GPR84 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL5637587 | 0.74 | DRD2 (0.33) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL2180477 | 0.71 | CYP3A4 (0.67) | KDM4EALDH1A1CYP1A2CYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013850-A | 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |