Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 16/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 7/20 | 0.42 |
| ▸ | AURKA | O14965 | 6/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | SGK1 | O00141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL84515 | 0.83 | PDPK1 (0.55) | PDPK1JAK2TGFBR1AURKAAURKB | |
| SCHEMBL2662677 | 0.76 | TRPA1 (0.56) | PDPK1JAK2AURKAAURKBGSK3B | |
| SCHEMBL6479720 | 0.74 | JAK2 (0.66) | PDPK1JAK2TGFBR1AURKAAURKB | |
| SCHEMBL91579 | 0.73 | PDPK1 (0.55) | PDPK1JAK2TGFBR1AURKAAURKB | |
| SCHEMBL14039533 | 0.70 | F9 (0.36) | AURKBROCK1ABL1GSK3BKDR | |
| SCHEMBL497271 | 0.70 | PDPK1 (0.60) | PDPK1JAK2TGFBR1AURKAAURKB | |
| SCHEMBL1690470 | 0.69 | JAK2 (0.55) | PDPK1JAK2AURKBKDM4ECYP3A4 | |
| SCHEMBL922069 | 0.69 | PDPK1 (0.65) | PDPK1JAK2TGFBR1AURKAAURKB | |
| SCHEMBL13930937 | 0.69 | METAP2 (0.60) | KDM4ECYP3A4CDK2 | |
| SCHEMBL11963370 | 0.69 | TTK (0.52) | PDPK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |