Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 15/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL290463 | 0.96 | CTSC (0.49) | CTSCKCNH2SMN1; SMN2 | |
| SCHEMBL290320 | 0.89 | CTSC (0.45) | CTSCKCNH2 | |
| SCHEMBL290293 | 0.86 | CTSC (0.50) | CTSCKCNH2CTSLCTSBCTSS | |
| SCHEMBL2890775 | 0.86 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL2885392 | 0.82 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL290106 | 0.80 | CTSC (0.46) | CTSCKCNH2TSPOKMO | |
| SCHEMBL299685 | 0.79 | CTSC (0.49) | CTSCKCNH2 | |
| SCHEMBL290246 | 0.79 | ALDH1A1 (0.41) | CTSCCTSLCTSBCTSSCYP2C19 | |
| SCHEMBL288781 | 0.78 | CTSC (0.43) | CTSCKCNH2CTSLCTSBCTSS | |
| SCHEMBL9886051 | 0.78 | CTSC (0.59) | CTSCKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |