Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17315098 | 0.79 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL1976009 | 0.78 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL30317655 | 0.78 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL27524682 | 0.77 | CYP1A2 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL18991159 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL20565988 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL31080645 | 0.75 | CYP2D6 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL18991950 | 0.75 | CYP2D6 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL18990982 | 0.75 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL18990983 | 0.75 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102458-A | Dihydropyrido pyrimidine compounds as autotaxin inhibitors | LILLY CO ELI | 2015-11-25 | — | — | CN | disclosed |