Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL22758543 | 0.88 | NPSR1 (0.33) | CTPS1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL21392084 | 0.84 | CYP3A4 (0.41) | CTPS1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL24848890 | 0.82 | PDE4B (0.33) | CTPS1PDE4B | |
| SCHEMBL22762471 | 0.81 | L3MBTL1 (0.34) | MEN1KMT2AIRAK4ALDH1A1PDE4B | |
| SCHEMBL22758464 | 0.78 | CTPS1 (0.49) | CTPS1 | |
| SCHEMBL24849581 | 0.78 | MMP2 (0.33) | NPC1RAB9ATLR9IRAK4NPSR1 | |
| SCHEMBL21373824 | 0.70 | IDO1 (0.35) | NPSR1ALDH1A1 | |
| SCHEMBL21373841 | 0.70 | TRPV1 (0.36) | ALDH1A1 | |
| SCHEMBL22758534 | 0.69 | IDO1 (0.35) | MEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL17601111 | 0.68 | IDH1 (0.39) | — |
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 |