Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | NEK2 | P51955 | 1/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 9/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16504074 | 0.82 | MPO (0.43) | AURKACYP1A2CYP2C19MAPK1RAB9A | |
| SCHEMBL5137221 | 0.77 | CHEK1 (0.48) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL18748532 | 0.77 | SMN1; SMN2 (0.55) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL1092954 | 0.76 | MPO (0.56) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL18748537 | 0.75 | LMNA (0.46) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL17111894 | 0.75 | CHEK1 (0.46) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL18748528 | 0.74 | CHEK1 (0.49) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL17112089 | 0.74 | CHEK1 (0.49) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL18748529 | 0.74 | LMNA (0.42) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL17111868 | 0.73 | GAA (0.46) | CHEK1AURKACSNK1A1CDK8NEK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3122344-B1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME (US) | 2022-04-27 | — | — | EP | disclosed |