Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB3 | P54753 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29548844 | 0.85 | EPHB3 (0.43) | EPHB3MCHR1KCNH2CYP2D6HRH3 | |
| SCHEMBL29548232 | 0.85 | EPHB3 (0.43) | EPHB3MCHR1KCNH2CYP2D6HRH3 | |
| SCHEMBL29548413 | 0.83 | EPHB3 (0.47) | EPHB3MCHR1GRIN1GRIN2BKDM1A | |
| SCHEMBL29548569 | 0.81 | GRIN1 (0.50) | EPHB3MCHR1GRIN1GRIN2BKDM1A | |
| SCHEMBL29548130 | 0.80 | EPHB3 (0.46) | EPHB3MCHR1KCNH2GRIN1GRIN2B | |
| SCHEMBL29548553 | 0.80 | EPHB3 (0.48) | EPHB3MCHR1KCNH2GRIN1GRIN2B | |
| SCHEMBL29548529 | 0.80 | EPHB3 (0.42) | EPHB3MCHR1KCNH2HRH3 | |
| SCHEMBL29548854 | 0.79 | EPHB3 (0.48) | EPHB3MCHR1KCNH2CYP2D6HRH3 | |
| SCHEMBL29548380 | 0.77 | EPHB3 (0.47) | EPHB3MCHR1KCNH2GRIN1GRIN2B | |
| SCHEMBL29548184 | 0.77 | EPHB3 (0.47) | EPHB3MCHR1KCNH2GRIN1GRIN2B |
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 |