Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CTSC | P53634 | 9/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6834628 | 0.92 | CTSS (0.40) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL6839001 | 0.90 | CTSS (0.40) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL5255385 | 0.88 | CTSL (0.47) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL5255381 | 0.88 | CTSL (0.47) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL6834322 | 0.86 | CTSC (0.45) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL5254760 | 0.86 | CTSC (0.45) | CTSLCTSSCTSCKCNH2 | |
| SCHEMBL6834855 | 0.86 | CTSC (0.45) | CTSLCTSSCTSCKCNH2 | |
| SCHEMBL6838529 | 0.85 | CTSC (0.46) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL5258475 | 0.84 | CTSS (0.44) | CTSLCTSSCTSCKCNH2CHRNA7 | |
| SCHEMBL6834285 | 0.84 | CTSC (0.43) | CTSLCTSSCTSCKCNH2TACR1 |
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-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |