Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567334 | 0.84 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6565786 | 0.77 | CTSS (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7021566 | 0.76 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6563698 | 0.74 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7434479 | 0.73 | ROCK2 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6565039 | 0.72 | CTSS (0.46) | — | |
| SCHEMBL7436060 | 0.72 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6565014 | 0.71 | CTSL (0.38) | — | |
| SCHEMBL3894952 | 0.70 | CTSL (0.54) | — | |
| SCHEMBL7431178 | 0.69 | JAK3 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |