Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PGK1 | P00558 | 2/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304363 | 0.83 | CYP3A4 (0.42) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL6791668 | 0.82 | ALDH1A1 (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL12115806 | 0.81 | ALDH1A1 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL6789513 | 0.81 | FFAR1 (0.44) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL7203454 | 0.78 | RARB (0.40) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL14374021 | 0.77 | KDM4E (0.44) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL10454531 | 0.76 | CYP3A4 (0.57) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL20647885 | 0.75 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL6785061 | 0.75 | ALDH1A1 (0.46) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL6785176 | 0.74 | ALDH1A1 (0.46) | KDM4EALDH1A1MAPTPGK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011143105-A1 | BIFUNCTIONAL QUINOLINE DERIVATIVES | GILEAD SCIENCES, INC. (US) | 2011-11-17 | — | — | WO | disclosed |