Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12635207 | 0.81 | CTSK (0.51) | CTSK | |
| SCHEMBL2900790 | 0.81 | CTSK (0.51) | CTSK | |
| SCHEMBL12635213 | 0.81 | CTSK (0.51) | CTSK | |
| SCHEMBL28816329 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9961227 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9961171 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL22866107 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL23009079 | 0.78 | CTSK (0.51) | CTSK | |
| SCHEMBL84186 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL1747220 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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-3447050-B1 | PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS | FORMA THERAPEUTICS INC (US) | 2020-02-19 | — | — | EP | disclosed |
| EP-3194383-B1 | QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS | FORMA THERAPEUTICS INC (US) | 2019-11-06 | — | — | EP | disclosed |