Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21392181 | 0.81 | CTPS1 (0.48) | CTPS1 | |
| SCHEMBL21392151 | 0.78 | FFAR4 (0.37) | CTPS1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL21392141 | 0.77 | ANO1 (0.39) | CTPS1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL30882869 | 0.77 | CYP2C19 (0.38) | CTPS1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL28476061 | 0.77 | CYP2C19 (0.38) | CTPS1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL21392182 | 0.77 | CTPS1 (0.33) | CTPS1 | |
| SCHEMBL21392084 | 0.74 | CYP3A4 (0.41) | CTPS1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL21373839 | 0.74 | CTPS1 (0.49) | CTPS1 | |
| SCHEMBL21373873 | 0.72 | CTPS1 (0.50) | CTPS1 | |
| SCHEMBL22758466 | 0.72 | CTPS1 (0.48) | CTPS1 |
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-3870574-B1 | AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS | STEP PHARMA S A S (FR) | 2023-01-04 | — | — | EP | disclosed |
| 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 |