Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 19/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | CTSK | P43235 | 4/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16485794 | 0.96 | CTSC (0.63) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| Trifluoroacetic Acid SCHEMBL16478345 | 0.84 | CTSC (0.49) | CTSCKCNH2CTSKDPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL16478179 | 0.83 | CTSC (0.62) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485776 | 0.82 | CTSC (0.69) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485815 | 0.82 | CTSC (0.69) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| Trifluoroacetic Acid SCHEMBL16478072 | 0.81 | CTSC (0.88) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485809 | 0.81 | CTSC (0.67) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| Trifluoroacetic Acid SCHEMBL16478094 | 0.81 | CTSC (0.88) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| Trifluoroacetic Acid SCHEMBL16478215 | 0.81 | CTSC (0.55) | CTSCKCNH2CTSKLTB4RLTB4R2 | |
| SCHEMBL16485781 | 0.81 | CTSC (0.43) | CTSCKCNH2CTSKLTB4RLTB4R2 |
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 2 patents. 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 | claimed |
| WO-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |