Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 10/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | CKS1B | P61024 | 3/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 3/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758463 | 0.82 | CYP3A4 (0.37) | CTPS1SCN9APIK3C3 | |
| SCHEMBL22758519 | 0.78 | CTPS1 (0.50) | CTPS1 | |
| SCHEMBL21381576 | 0.71 | CTPS1 (0.43) | CTPS1ABL1MAP4K1SCN9APIK3C3 | |
| SCHEMBL22545193 | 0.67 | CYP1A2 (0.41) | — | |
| SCHEMBL22758486 | 0.67 | CTPS1 (0.45) | CTPS1 | |
| SCHEMBL22758537 | 0.66 | CTPS1 (0.46) | CTPS1 | |
| SCHEMBL31678837 | 0.65 | PTGS1 (0.43) | CTPS1ABL1MAP4K1SCN9APIK3C3 | |
| SCHEMBL21392181 | 0.65 | CTPS1 (0.48) | CTPS1 | |
| SCHEMBL31678766 | 0.65 | PTGS1 (0.44) | CTPS1MAP4K1SCN9APIK3C3CKS1B | |
| SCHEMBL30339221 | 0.65 | PTGS1 (0.44) | CTPS1MAP4K1SCN9APIK3C3CKS1B |
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 |