Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431178 | 0.87 | JAK3 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6565016 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3895614 | 0.77 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3899355 | 0.73 | HPGD (0.42) | — | |
| SCHEMBL7021566 | 0.73 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6565456 | 0.73 | ACHE (0.38) | JAK3OPRM1OPRD1OPRK1 | |
| SCHEMBL7431174 | 0.72 | LMNA (0.37) | JAK3OPRM1OPRD1OPRK1 | |
| SCHEMBL3898232 | 0.70 | CTSB (0.43) | OPRM1 | |
| SCHEMBL7434373 | 0.69 | CTSB (0.40) | OPRM1 | |
| SCHEMBL6564992 | 0.69 | SLC6A4 (0.44) | 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 | claimed |