Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL26324281 | 0.86 | CTPS1 (0.41) | CTPS1NPSR1MAPTCYP2C9RORC | |
| SCHEMBL26214529 | 0.72 | CTPS1 (0.41) | CTPS1NPSR1MAPTCYP2C9RORC | |
| SCHEMBL21387613 | 0.71 | CTPS1 (0.44) | CTPS1 | |
| SCHEMBL22762569 | 0.68 | CTPS1 (0.47) | CTPS1 | |
| SCHEMBL21387725 | 0.65 | CTPS1 (0.44) | CTPS1NPSR1MAPTCYP2C9MAPK1 | |
| SCHEMBL21392115 | 0.64 | — | — | |
| SCHEMBL21391982 | 0.63 | — | — | |
| SCHEMBL14297823 | 0.62 | AURKA (0.48) | MAPTALDH1A1 | |
| SCHEMBL21392182 | 0.60 | CTPS1 (0.33) | CTPS1HRH4MAPK1 | |
| SCHEMBL22758456 | 0.59 | — | — |
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-2020245665-A1 | N-(4-(5-CHLOROPYRIDIN-3-YL)PHENYL)-2-(2-(CYCLOPROPANESULFONAMIDO)PYRIMIDIN-4-YL) BUTANAMIDE 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 |