Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPA1 | P27694 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | NEK2 | P51955 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16517386 | 0.90 | EGFR (0.43) | RPA1CHEK1AURKACSNK1A1CDK8 | |
| SCHEMBL16517027 | 0.83 | CHEK1 (0.46) | RPA1CHEK1AURKACSNK1A1CDK8 | |
| SCHEMBL16516970 | 0.80 | MAP3K14 (0.47) | RPA1EGFRERBB2NPBWR1MEN1 | |
| SCHEMBL16517797 | 0.78 | RPA1 (0.52) | RPA1CHEK1AURKACSNK1A1CDK8 | |
| SCHEMBL16517124 | 0.77 | RPA1 (0.39) | RPA1EGFRNPBWR1MEN1KMT2A | |
| SCHEMBL16517472 | 0.75 | MAP3K14 (0.57) | RPA1EGFRRAB9AMAP3K14SMN1; SMN2 | |
| SCHEMBL16517584 | 0.73 | PDE4A (0.39) | RPA1CHEK1AURKACSNK1A1CDK8 | |
| SCHEMBL16517541 | 0.72 | RPA1 (0.47) | RPA1NPBWR1KMT2ARAB9AL3MBTL1 | |
| SCHEMBL16516797 | 0.72 | PDE4A (0.44) | RPA1CHEK1AURKACSNK1A1CDK8 | |
| SCHEMBL9910899 | 0.72 | CHEK1 (0.70) | RPA1CHEK1AURKACSNK1A1CDK8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |