Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 18/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.64 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.52 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16478336 | 1.00 | CTSC (0.64) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL16478322 | 0.94 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL16485788 | 0.94 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL16478323 | 0.94 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL16478297 | 0.93 | CTSC (0.70) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL16478295 | 0.93 | CTSC (0.70) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| Trifluoroacetic Acid SCHEMBL16478072 | 0.85 | CTSC (0.88) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478094 | 0.85 | CTSC (0.88) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478151 | 0.84 | CTSC (0.86) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478150 | 0.84 | CTSC (0.86) | CTSCKCNH2LTB4RLTB4R2CTSK |
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 |