Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 14/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21077147 | 0.88 | CTPS1 (0.54) | CTPS1ADRB3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21077060 | 0.86 | CTPS1 (0.56) | CTPS1 | |
| SCHEMBL21077117 | 0.86 | CTPS1 (0.55) | CTPS1ADRB3 | |
| SCHEMBL21077081 | 0.85 | CTPS1 (0.43) | CTPS1ADRB3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21077216 | 0.85 | CTPS1 (0.49) | CTPS1 | |
| SCHEMBL21044571 | 0.84 | CTPS1 (0.56) | CTPS1 | |
| SCHEMBL21077048 | 0.82 | CTPS1 (0.43) | CTPS1ADRB3 | |
| SCHEMBL21077107 | 0.82 | CTPS1 (0.54) | CTPS1ADRB3 | |
| SCHEMBL21077199 | 0.82 | CTPS1 (0.53) | CTPS1ADRB3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21077015 | 0.81 | CTPS1 (0.41) | CTPS1ADRB3GCK |
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 |