Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.46 |
| ▸ | USP2 | O75604 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4364165 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4353682 | 0.85 | MAP4K4 (0.50) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4355285 | 0.80 | RAF1 (0.54) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4363909 | 0.80 | MAP4K4 (0.49) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4351310 | 0.79 | ALDH1A1 (0.51) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4349812 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4355763 | 0.79 | HPGD (0.56) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4361101 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4838805 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL4353687 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 |
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-2008009078-A2 | 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | disclosed |