Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26511115 | 0.92 | ABCG2 (0.42) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL23943263 | 0.82 | CYP3A4 (0.38) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL31747797 | 0.82 | CYP1A1 (0.43) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL18266967 | 0.82 | CYP1A1 (0.43) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL24481911 | 0.81 | CYP1A1 (0.41) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL22908032 | 0.80 | CYP1A1 (0.42) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL18842430 | 0.80 | CYP1A1 (0.42) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL27012231 | 0.80 | ABCG2 (0.43) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL22546760 | 0.79 | CYP1A1 (0.41) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 | |
| SCHEMBL22541937 | 0.79 | CYP1A1 (0.43) | ABCG2CYP3A4CYP2C19TSHRCYP1A1 |
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-4257657-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | Idemitsu Kosan Co.,Ltd. (JP) | 2023-10-11 | — | — | EP | disclosed |