Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 16/20 | 0.69 |
| ▸ | F11 | P03951 | 6/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21367940 | 0.84 | KLKB1 (0.69) | KLKB1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL17785397 | 0.83 | KLKB1 (0.74) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21145621 | 0.82 | KLKB1 (1.00) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL29835923 | 0.81 | KLKB1 (1.00) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL17785277 | 0.81 | KLKB1 (1.00) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21145615 | 0.81 | KLKB1 (1.00) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL17785396 | 0.79 | KLKB1 (0.84) | KLKB1F11 | |
| SCHEMBL17785282 | 0.78 | F11 (1.00) | KLKB1F11 | |
| SCHEMBL24863716 | 0.77 | KLKB1 (0.50) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21145572 | 0.76 | KLKB1 (1.00) | KLKB1F11CYP3A4CYP2C8CYP2C9 |
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-2017208002-A1 | POLYMORPHS OF N-[6-CYANO-2-FLUORO)-3-METHOXYPHENYL) METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AS KALLIKREIN INHIBITORS | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2017-12-07 | — | — | WO | disclosed |