Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.34 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | STK4 | Q13043 | 1/20 | 0.30 |
| ▸ | STK3 | Q13188 | 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 | |
|---|---|---|---|---|
| SCHEMBL30942632 | 0.92 | CHEK1 (0.42) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| SCHEMBL9081 | 0.92 | CHEK1 (0.42) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| SCHEMBL9798919 | 0.90 | CHEK1 (0.41) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| Hydrochloric Acid SCHEMBL11162213 | 0.90 | CHEK1 (0.41) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| SCHEMBL8716026 | 0.90 | CHEK1 (0.41) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| Acetone SCHEMBL3279080 | 0.85 | CHEK1 (0.36) | CHEK1DPP4 | |
| SCHEMBL11167998 | 0.84 | CHEK1 (0.35) | CHEK1AURKALRRK2PRKACARPS6KA3 | |
| SCHEMBL248369 | 0.81 | CHEK1 (0.31) | CHEK1 | |
| Tetrahydrofuran SCHEMBL130819 | 0.79 | CHEK1 (0.34) | CHEK1LRRK2PDPK1STK4STK3 | |
| Purine SCHEMBL6959949 | 0.78 | CHEK1 (0.33) | CHEK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5663154-A | VIRICIDES, HIV, HEPATITIS | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0625158-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993014103-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-22 | — | — | WO | disclosed |