Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.93 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.65 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.65 |
| ▸ | EGFR | P00533 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.57 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3612716 | 0.97 | CYP2A6 (1.00) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL29746239 | 0.97 | CYP2A6 (1.00) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL17050891 | 0.91 | CYP2A6 (0.77) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL17945834 | 0.86 | CYP2A6 (0.79) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL12074709 | 0.84 | PDGFRB (0.70) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD | |
| SCHEMBL321456 | 0.83 | CYP2A6 (0.75) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL16483281 | 0.83 | CYP2A6 (0.64) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 | |
| SCHEMBL30323720 | 0.82 | BIRC5 (0.77) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD | |
| SCHEMBL27631118 | 0.82 | BIRC5 (0.77) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD | |
| SCHEMBL26572253 | 0.82 | CYP2A6 (0.63) | CYP2A6PDGFRBPDGFRAEGFRCYP19A1 |
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-2022118910-A1 | HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 保土谷化学工業株式会社 | 2022-06-09 | — | — | WO | disclosed |