Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.45 |
| ▸ | KDR | P35968 | 5/20 | 0.43 |
| ▸ | AURKA | O14965 | 4/20 | 0.43 |
| ▸ | CDK7 | P50613 | 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 | |
|---|---|---|---|---|
| SCHEMBL3880912 | 0.88 | CHEK1 (0.45) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3841706 | 0.87 | CHEK1 (0.44) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3881150 | 0.85 | CHEK1 (0.48) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3861919 | 0.84 | CHEK1 (0.42) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3043783 | 0.80 | CHEK1 (0.51) | CHEK1KDRAURKACDK7 | |
| SCHEMBL3049253 | 0.79 | KDR (0.47) | CHEK1KDRAURKA | |
| Hydrochloric Acid SCHEMBL3039717 | 0.79 | CHEK1 (0.55) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3047063 | 0.78 | CHEK1 (0.53) | CHEK1KDRAURKACDK7 | |
| Hydrochloric Acid SCHEMBL3034102 | 0.78 | AURKA (0.47) | CHEK1KDRAURKA | |
| Hydrochloric Acid SCHEMBL3874594 | 0.77 | CHEK1 (0.49) | CHEK1KDRAURKA |
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-2108642-A1 | JAK INHIBITOR | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-10-14 | — | — | EP | disclosed |