Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CDK2AP1 | O14519 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686627 | 0.88 | NPC1 (0.38) | SYKHDAC1 | |
| SCHEMBL6685923 | 0.86 | RAB9A (0.38) | HSD11B1CTSS | |
| SCHEMBL5409955 | 0.84 | EPHX2 (0.47) | CTSS | |
| SCHEMBL6690542 | 0.83 | RORC (0.41) | — | |
| SCHEMBL5404160 | 0.83 | EPHX2 (0.46) | CTSS | |
| SCHEMBL6693570 | 0.82 | CA2 (0.44) | CDK1CDK2CCNA2CCNA1 | |
| SCHEMBL6687814 | 0.82 | EPHX1 (0.40) | PARP15PARP10 | |
| SCHEMBL6687352 | 0.80 | MAPT (0.45) | — | |
| SCHEMBL6685684 | 0.80 | KIF11 (0.39) | — | |
| SCHEMBL6685716 | 0.80 | KDM4E (0.47) | CTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |