Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CTPS1 | P17812 | 14/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758491 | 0.82 | CTPS1 (0.36) | CTPS1PIK3C3SCN9A | |
| SCHEMBL21392181 | 0.80 | CTPS1 (0.48) | CTPS1 | |
| SCHEMBL22758544 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C9PKMCYP2C19CTPS1 | |
| SCHEMBL30416303 | 0.78 | CTPS1 (0.38) | CYP3A4CYP2C9PKMCYP2C19CTPS1 | |
| SCHEMBL21392175 | 0.78 | CTPS1 (0.38) | CYP3A4CYP2C9PKMCYP2C19CTPS1 | |
| SCHEMBL22758511 | 0.75 | CYP2C19 (0.36) | CYP3A4CYP2C9PKMCYP2C19ANO1 | |
| SCHEMBL29369501 | 0.74 | CTPS1 (0.66) | CTPS1 | |
| SCHEMBL21373839 | 0.73 | CTPS1 (0.49) | CTPS1 | |
| SCHEMBL22869169 | 0.72 | CTPS1 (0.40) | CYP3A4CYP2C9PKMCYP2C19CTPS1 | |
| SCHEMBL30725706 | 0.72 | CTPS1 (0.40) | CTPS1SCN9A |
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-2020245664-A1 | N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | STEP PHARMA S.A.S. (FR) | 2020-12-10 | — | — | WO | disclosed |