Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 1.00 |
| ▸ | CTSV | O60911 | 1/20 | 0.67 |
| ▸ | CTSL | P07711 | 1/20 | 0.67 |
| ▸ | CTSB | P07858 | 1/20 | 0.67 |
| ▸ | CTSH | P09668 | 1/20 | 0.67 |
| ▸ | CTSS | P25774 | 1/20 | 0.67 |
| ▸ | CTSK | P43235 | 1/20 | 0.67 |
| ▸ | CASP4 | P49662 | 1/20 | 0.67 |
| ▸ | MMP14 | P50281 | 1/20 | 0.67 |
| ▸ | CTSC | P53634 | 1/20 | 0.67 |
| ▸ | BACE1 | P56817 | 1/20 | 0.67 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.67 |
| ▸ | CTSZ | Q9UBR2 | 1/20 | 0.67 |
| ▸ | KLK4 | Q9Y5K2 | 1/20 | 0.67 |
| ▸ | CDK1 | P06493 | 12/20 | 0.64 |
| ▸ | PRKCA | P17252 | 7/20 | 0.64 |
| ▸ | CLK1 | P49759 | 3/20 | 0.58 |
| ▸ | CLK2 | P49760 | 3/20 | 0.58 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4838855 | 0.87 | NPC1 (0.77) | NPC1CTSVCTSLCTSBCTSH | |
| SCHEMBL3380592 | 0.87 | NPC1 (0.76) | NPC1CTSVCTSLCTSBCTSH | |
| SCHEMBL29444624 | 0.85 | NPC1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL3352454 | 0.85 | NPC1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840706 | 0.81 | CDK1 (0.69) | NPC1CTSVCTSLCTSBCTSH | |
| SCHEMBL5840456 | 0.80 | CDK1 (0.75) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL27374901 | 0.80 | CDK1 (0.67) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839913 | 0.79 | CDK1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839057 | 0.78 | CDK1 (1.00) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5841749 | 0.78 | CDK1 (0.82) | NPC1CDK1PRKCACLK1CLK2 |
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-2010059418-A1 | SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS | THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) | 2010-05-27 | — | — | WO | disclosed |