Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29548554 | 0.82 | CYP4F2 (0.35) | CYP4F2CYP4A11ATR | |
| SCHEMBL29548233 | 0.81 | CAMKK1 (0.36) | — | |
| SCHEMBL29548519 | 0.78 | EPHB3 (0.43) | EPHB3HRH3CYP2D6MCHR1MAOA | |
| SCHEMBL29548130 | 0.75 | EPHB3 (0.46) | EPHB3HRH3CYP2D6MCHR1KCNH2 | |
| SCHEMBL29548553 | 0.75 | EPHB3 (0.48) | EPHB3HRH3CYP2D6MCHR1KCNH2 | |
| SCHEMBL29548569 | 0.74 | GRIN1 (0.50) | EPHB3HRH3CYP2D6MCHR1MAOA | |
| SCHEMBL29548413 | 0.74 | EPHB3 (0.47) | EPHB3HRH3CYP2D6MCHR1MAOA | |
| SCHEMBL29548184 | 0.74 | EPHB3 (0.47) | EPHB3HRH3CYP2D6MCHR1MAOA | |
| SCHEMBL29548380 | 0.74 | EPHB3 (0.47) | EPHB3HRH3CYP2D6MCHR1MAOA | |
| SCHEMBL29548854 | 0.74 | EPHB3 (0.48) | EPHB3HRH3CYP2D6MCHR1MAOA |
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-2022070288-A1 | NITROGEN-CONTAINING BICYCLIC COMPOUND | 旭化成ファーマ株式会社 | 2022-04-07 | — | — | WO | disclosed |