Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 19/20 | 0.94 |
| ▸ | F11 | P03951 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17785285 | 0.97 | KLKB1 (1.00) | KLKB1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL19682322 | 0.88 | KLKB1 (0.84) | KLKB1F11 | |
| SCHEMBL24176220 | 0.88 | KLKB1 (0.83) | KLKB1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21081704 | 0.86 | KLKB1 (0.70) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL28379609 | 0.85 | KLKB1 (0.78) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL31339410 | 0.83 | KLKB1 (0.63) | KLKB1F11 | |
| SCHEMBL17785263 | 0.83 | KLKB1 (0.63) | KLKB1F11 | |
| SCHEMBL17786836 | 0.78 | KLKB1 (0.67) | KLKB1F11 | |
| SCHEMBL17785314 | 0.77 | KLKB1 (0.65) | KLKB1F11 | |
| SCHEMBL17785333 | 0.77 | KLKB1 (0.77) | KLKB1CYP3A4CYP2C8CYP2C9 |
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-3224256-A1 | N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, | Kalvista Pharmaceuticals Limited (GB) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016083820-A1 | N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2016-06-02 | — | — | WO | disclosed |