Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772338 | 0.92 | DHFR (0.48) | CYP2C19CYP3A4NQO1DHFRCETP | |
| SCHEMBL8772220 | 0.87 | CYP3A4 (0.55) | CYP2C19CYP3A4NQO1CYP1A2CYP2C9 | |
| SCHEMBL8772324 | 0.83 | CYP2C9 (0.44) | CYP2C19GABRA1GABRB2CYP1A2CYP2C9 | |
| SCHEMBL9008291 | 0.83 | CYP1A2 (0.44) | CYP2C19GABRA1GABRB2CYP1A2CYP2C9 | |
| SCHEMBL12323447 | 0.81 | DHFR (0.46) | CYP2C19CYP3A4GABRA1GABRB2CYP1A2 | |
| SCHEMBL8772273 | 0.79 | MEN1 (0.49) | CYP2C19CYP3A4GABRA1GABRB2CYP1A2 | |
| SCHEMBL8772299 | 0.79 | LMNA (0.45) | CYP2C19CYP3A4GABRA1GABRB2CYP1A2 | |
| SCHEMBL9817048 | 0.79 | SHBG (0.42) | CYP2C19GABRA1GABRB2CYP1A2CYP2C9 | |
| SCHEMBL5009340 | 0.78 | CYP2C9 (0.50) | CYP2C19CYP3A4GABRA1GABRB2CYP1A2 | |
| SCHEMBL30464059 | 0.77 | HSPA5 (0.53) | CYP2C19CYP3A4CYP1A2CYP2C9DHFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0217149-B1 | POLY(2,2,6,6-TETRAMETHYLPIPERIDYLAMINOSPIROGLYCOLETHER-1,3,5-TRIAZINES) | ADEKA ARGUS CHEMICAL CO., Ltd. (JP) | 1991-01-30 | — | — | EP | disclosed |