Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.74 |
| ▸ | CDK1 | P06493 | 12/20 | 0.70 |
| ▸ | PRKCA | P17252 | 5/20 | 0.70 |
| ▸ | CLK1 | P49759 | 3/20 | 0.62 |
| ▸ | CLK2 | P49760 | 3/20 | 0.62 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.62 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.62 |
| ▸ | CDK2 | P24941 | 3/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.62 |
| ▸ | EGFR | P00533 | 2/20 | 0.62 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.62 |
| ▸ | CDK4 | P11802 | 1/20 | 0.62 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.62 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.62 |
| ▸ | CCND1 | P24385 | 1/20 | 0.62 |
| ▸ | CCND3 | P30281 | 1/20 | 0.62 |
| ▸ | MTOR | P42345 | 1/20 | 0.62 |
| ▸ | CDK7 | P50613 | 1/20 | 0.62 |
| ▸ | CDK9 | P50750 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL3352454 | 1.00 | NPC1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840317 | 0.88 | CDK1 (0.68) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL3379300 | 0.88 | YTHDC1 (0.60) | NPC1CDK1PRKCACDK2CCNA2 | |
| SCHEMBL5839410 | 0.86 | CDK1 (0.69) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839910 | 0.86 | CDK1 (0.69) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL3346901 | 0.85 | NPC1 (1.00) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840706 | 0.85 | CDK1 (0.69) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL183315 | 0.85 | SRC (0.61) | NPC1CDK1PRKCACCNE1CDK2 | |
| SCHEMBL5840456 | 0.85 | CDK1 (0.75) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL244036 | 0.84 | SRC (0.55) | NPC1CDK1PRKCACCNB1CDK5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114149432-B | Dual CLK/CDK1 inhibitors for cancer treatment | 斯坦福国际研究院 | 2024-07-05 | — | — | CN | disclosed |
| EP-4086257-A1 | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | SRI International (US) | 2022-11-09 | — | — | EP | disclosed |
| CN-114149432-A | Dual CLK/CDK1 inhibitors for cancer treatment | 斯坦福国际研究院 | 2022-03-08 | — | — | CN | disclosed |