Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 14/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 5/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18664338 | 0.95 | PDPK1 (0.40) | PDPK1JAK2KDM4ECYP3A4GAA | |
| SCHEMBL11963085 | 0.83 | MAOA (0.51) | PDPK1JAK2GAAAURKATGFBR1 | |
| SCHEMBL11963297 | 0.81 | CDC7 (0.50) | PDPK1JAK2KDM4ECYP3A4CDK2 | |
| SCHEMBL11963370 | 0.81 | TTK (0.52) | PDPK1JAK2TTK | |
| SCHEMBL2479153 | 0.79 | CDC7 (0.48) | PDPK1JAK2KDM4ECYP3A4CDK2 | |
| SCHEMBL18640073 | 0.77 | IKBKE (0.43) | PDPK1JAK2GSK3BTTK | |
| SCHEMBL11963147 | 0.74 | MAOA (0.51) | PDPK1JAK2AURKATGFBR1AURKB | |
| SCHEMBL216014 | 0.74 | CNR2 (0.54) | PDPK1JAK2AURKATGFBR1AURKB | |
| SCHEMBL18639944 | 0.74 | MAOB (0.47) | PDPK1JAK2ABL1 | |
| SCHEMBL18639882 | 0.74 | MAOA (0.50) | PDPK1JAK2AURKATGFBR1AURKB |
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-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |