Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 19/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17994144 | 0.82 | TACR3 (0.62) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL17656127 | 0.80 | TACR3 (0.56) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL14850675 | 0.80 | TACR3 (0.56) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL18112324 | 0.74 | TACR3 (0.57) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL17994148 | 0.74 | TACR3 (0.56) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL31694710 | 0.74 | TACR3 (0.56) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19681420 | 0.73 | TACR3 (0.56) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL14850674 | 0.72 | TACR3 (0.70) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL14850769 | 0.72 | TACR3 (0.70) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL16048174 | 0.72 | TACR3 (0.70) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 |
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 |