Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 18/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CTSH | P09668 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478155 | 1.00 | CTSC (0.50) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16478210 | 0.89 | CTSC (0.51) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16478108 | 0.89 | CTSC (0.48) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485801 | 0.88 | CTSC (0.46) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485752 | 0.88 | CTSC (0.46) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485776 | 0.85 | CTSC (0.69) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485815 | 0.85 | CTSC (0.69) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485809 | 0.84 | CTSC (0.67) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16478213 | 0.84 | ITGA4 (0.46) | ITGA4ITGB7 | |
| SCHEMBL16478374 | 0.84 | ITGA4 (0.46) | ITGA4ITGB7 |
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-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |