Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ALPL | P05186 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.54 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31373340 | 0.98 | CYP2A6 (0.71) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL21742616 | 0.98 | CYP2A6 (0.71) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL23027107 | 0.92 | CYP2A6 (0.56) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL31624220 | 0.92 | CYP2A6 (0.56) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL25825478 | 0.89 | CYP2A6 (0.59) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL25825308 | 0.89 | CYP2A6 (0.59) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL25825273 | 0.89 | CYP2A6 (0.59) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL18181000 | 0.88 | CYP2A6 (0.60) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL6436152 | 0.87 | CYP2A6 (0.90) | CYP2A6CYP1A2HPGDNPC1CYP3A4 | |
| SCHEMBL29242858 | 0.87 | CYP2A6 (0.61) | CYP2A6CYP1A2HPGDNPC1CYP3A4 |
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-2023125801-A1 | FLUORANTHENE DERIVATIVE, LIGHT-EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT | 东丽先端材料研究开发（中国）有限公司 | 2023-07-06 | — | — | WO | disclosed |