Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 14/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2837458 | 1.00 | CTSK (0.50) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL5196577 | 0.86 | CTSK (0.67) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL12493046 | 0.83 | CTSK (0.48) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL12493044 | 0.83 | CTSK (0.48) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL75827 | 0.82 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL73696 | 0.82 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL73697 | 0.82 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL17951340 | 0.81 | CA1 (0.49) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL19166265 | 0.81 | CA1 (0.49) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL27479498 | 0.81 | CA1 (0.49) | CTSKCA1CA2CA7CYP2D6 |
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-2195328-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Incorporated (US) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009023193-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2009-02-19 | — | — | WO | disclosed |