Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1822675 | 0.68 | KDM4E (0.43) | CYP2A6 | |
| SCHEMBL29481537 | 0.68 | KDM4E (0.43) | CYP2A6 | |
| Lithium SCHEMBL29773580 | 0.67 | KDM4E (0.42) | CYP2A6 | |
| SCHEMBL793638 | 0.66 | CYP2A6 (0.46) | CYP2A6SLC6A2SLC6A4SLC6A3HDAC4 | |
| SCHEMBL5583447 | 0.65 | — | — | |
| SCHEMBL4318452 | 0.64 | CYP1A2 (0.44) | CYP2A6 | |
| SCHEMBL7635425 | 0.64 | HPRT1 (0.50) | CYP2A6SLC6A2 | |
| SCHEMBL15052338 | 0.62 | CYP2A6 (0.40) | CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8168689 | 0.62 | HTR1A (0.43) | — | |
| SCHEMBL4035804 | 0.62 | CYP2A6 (0.36) | CYP2A6 |
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-2020203594-A1 | FLUORENE DERIVATIVE AND USE THEREOF | 日産化学株式会社 | 2020-10-08 | — | — | WO | disclosed |