Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 16/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6961882 | 0.93 | CTSL (0.44) | CTSLCYP2D6CTSSTACR2 | |
| SCHEMBL7083037 | 0.89 | CTSL (0.43) | CTSLCYP2D6CTSSTACR2 | |
| SCHEMBL6106481 | 0.88 | CTSS (0.57) | CTSLCYP2D6CYP2C9CTSSTACR2 | |
| SCHEMBL6972419 | 0.82 | CTSL (0.53) | CTSLCTSS | |
| SCHEMBL6968079 | 0.81 | CTSS (0.48) | CTSLCTSS | |
| SCHEMBL6106337 | 0.80 | CTSS (0.54) | CTSLCTSSTACR2 | |
| SCHEMBL6971609 | 0.80 | CTSS (0.52) | CTSLCTSSTACR2 | |
| SCHEMBL5364821 | 0.80 | CTSL (0.46) | CTSLCYP2D6CYP2C9CTSS | |
| SCHEMBL6108723 | 0.80 | CTSL (0.60) | CTSLCYP2D6CYP2C9CTSS | |
| SCHEMBL7081891 | 0.79 | CTSS (0.50) | CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | claimed |