Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 13/20 | 0.41 |
| ▸ | CTSS | P25774 | 9/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544231 | 1.00 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL16762943 | 0.87 | CTSK (0.43) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6769450 | 0.87 | CTSK (0.43) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL8719643 | 0.85 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL3498621 | 0.85 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL165350 | 0.83 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL165351 | 0.83 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL12635077 | 0.83 | CTSK (0.49) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6968497 | 0.83 | CA1 (0.45) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6971472 | 0.83 | CA1 (0.45) | CYP2D6CA1CA2CA7CTSK |
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-2869835-A1 | CYSTEINE PROTEASE CAPTURING AGENTS | Stichting Het Nederlands Kanker Instituut (NL) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014007632-A1 | CYSTEINE PROTEASE CAPTURING AGENTS | STICHTING HET NEDERLANDS KANKER INSTITUUT (NL) | 2014-01-09 | — | — | WO | disclosed |