Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.60 |
| ▸ | TACR1 | P25103 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17994149 | 0.90 | TACR3 (0.58) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL17994148 | 0.81 | TACR3 (0.56) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL31694710 | 0.81 | TACR3 (0.56) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL29967223 | 0.68 | TACR3 (0.74) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL16115756 | 0.68 | TACR3 (0.74) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL22556652 | 0.68 | TACR3 (0.43) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL17994146 | 0.67 | TACR3 (0.59) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL14850676 | 0.67 | TACR3 (0.57) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL16115329 | 0.67 | TACR3 (0.51) | TACR3KCNH2CYP2C9CYP2C19TACR1 | |
| SCHEMBL16115331 | 0.67 | TACR3 (0.51) | TACR3KCNH2CYP2C9CYP2C19TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9422299-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists | EUROSCREEN SA (BE) | 2016-08-23 | — | — | US | claimed |