Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 8/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | GRB2 | P62993 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5015633 | 0.82 | CHEK1 (0.33) | — | |
| SCHEMBL5024323 | 0.78 | CHEK1 (0.48) | — | |
| SCHEMBL5025721 | 0.72 | MAOB (0.37) | MEN1CYP1A2KMT2AKDM4E | |
| SCHEMBL5017699 | 0.71 | CHEK1 (0.41) | — | |
| SCHEMBL5015632 | 0.71 | — | — | |
| SCHEMBL5025797 | 0.71 | ALDH1A1 (0.36) | KDM4E | |
| SCHEMBL5017759 | 0.70 | MAOB (0.37) | CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL5015643 | 0.70 | — | — | |
| SCHEMBL5024199 | 0.70 | — | — | |
| SCHEMBL9155261 | 0.63 | GPR17 (0.48) | MEN1KMT2AKDM4E |
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-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |