Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 11/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24825418 | 0.95 | ALOX5 (0.37) | CYP1A1CYP1B1ALOX5CYP1A2CYP3A4 | |
| SCHEMBL24824985 | 0.94 | ALOX5 (0.40) | CYP1A1CYP1B1CA12CA1CA2 | |
| SCHEMBL24825239 | 0.94 | ALOX5 (0.39) | CYP1A1CYP1B1ALOX5CYP1A2CYP3A4 | |
| SCHEMBL24825663 | 0.93 | ALOX5 (0.36) | CYP1A1CYP1B1ALOX5CYP1A2CYP3A4 | |
| SCHEMBL25730853 | 0.93 | ALOX5 (0.37) | CYP1A1CYP1B1ALOX5CYP1A2CYP3A4 | |
| SCHEMBL24825168 | 0.93 | CYP1A1 (0.40) | CYP1A1CYP1B1CA12CA1CA2 | |
| SCHEMBL24825284 | 0.92 | ALOX5 (0.40) | CYP1A1CYP1B1CA12CA1CA2 | |
| SCHEMBL24825488 | 0.92 | CYP1A1 (0.37) | CYP1A1CYP1B1CA12CA1CA2 | |
| SCHEMBL24887540 | 0.92 | ALOX5 (0.40) | CYP1A1CYP1B1CA12CA1CA2 | |
| SCHEMBL24887147 | 0.92 | CYP1A1 (0.42) | CYP1A1CYP1B1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220416174-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-12-29 | — | — | US | disclosed |