Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 10/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 10/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.44 |
| ▸ | PRKDC | P78527 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | TACR2 | P21452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27357128 | 0.85 | ABCG2 (0.47) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL27355867 | 0.84 | ABCG2 (0.54) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL27356917 | 0.84 | ABCG2 (0.51) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL17945067 | 0.81 | ARSA (0.45) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL19080023 | 0.80 | CYP1A1 (0.46) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL22541880 | 0.79 | CYP1A1 (0.44) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL27357135 | 0.79 | ABCG2 (0.38) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL20906808 | 0.79 | CYP1A1 (0.50) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL17943946 | 0.79 | CYP1A1 (0.47) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL17931955 | 0.78 | CYP1A1 (0.44) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 |
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-2024005428-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2024-01-04 | — | — | WO | disclosed |