Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 12/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 7/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440047 | 0.93 | TGFBR1 (0.46) | TGFBR1MAP4K4PDPK1PIK3CAIDO1 | |
| SCHEMBL2325058 | 0.90 | TGFBR1 (0.41) | TGFBR1MAP4K4IDO1METJAK2 | |
| SCHEMBL12439725 | 0.88 | ACACB (0.34) | TGFBR1MAP4K4IDO1METHTR1A | |
| SCHEMBL13968445 | 0.86 | TGFBR1 (0.45) | TGFBR1MAP4K4PDPK1PIK3CAMET | |
| SCHEMBL2327513 | 0.84 | MET (0.42) | TGFBR1MET | |
| SCHEMBL12440841 | 0.83 | TGFBR1 (0.36) | TGFBR1MAP4K4IDO1MET | |
| SCHEMBL12440044 | 0.83 | FEN1 (0.43) | TGFBR1MAP4K4PIK3CAJAK2 | |
| SCHEMBL12440840 | 0.82 | ACACB (0.37) | TGFBR1MAP4K4IDO1METCDK8 | |
| SCHEMBL13968474 | 0.81 | KDR (0.36) | TGFBR1MAP4K4METCDK8CDK19 | |
| SCHEMBL2320748 | 0.81 | MET (0.40) | METCDK8CDK19JAK2JAK1 |
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-2011095196-A1 | HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-08-11 | — | — | WO | disclosed |