Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 4/20 | 0.58 |
| ▸ | RAF1 | P04049 | 11/20 | 0.55 |
| ▸ | BRAF | P15056 | 9/20 | 0.55 |
| ▸ | SRC | P12931 | 3/20 | 0.54 |
| ▸ | KDR | P35968 | 7/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.53 |
| ▸ | MAP3K20 | Q9NYL2 | 4/20 | 0.53 |
| ▸ | ABL1 | P00519 | 4/20 | 0.53 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.53 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.53 |
| ▸ | TEK | Q02763 | 3/20 | 0.53 |
| ▸ | PLK4 | O00444 | 2/20 | 0.53 |
| ▸ | AURKA | O14965 | 2/20 | 0.53 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.53 |
| ▸ | LCK | P06239 | 2/20 | 0.53 |
| ▸ | FYN | P06241 | 2/20 | 0.53 |
| ▸ | LYN | P07948 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3540263 | 0.94 | RAF1 (0.58) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3540267 | 0.94 | RAF1 (0.58) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3548061 | 0.93 | RET (0.55) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3548057 | 0.93 | RET (0.55) | RETRAF1BRAFSRCKDR | |
| SCHEMBL13547812 | 0.93 | RET (0.56) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3542434 | 0.89 | RET (0.53) | RETRAF1BRAFSRCKDR | |
| SCHEMBL13547810 | 0.89 | SRC (0.64) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3542430 | 0.89 | RET (0.53) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3544571 | 0.89 | RET (0.74) | RETRAF1BRAFSRCKDR | |
| SCHEMBL3544568 | 0.89 | RET (0.74) | RETRAF1BRAFSRCKDR |
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-7652041-B2 | 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-01-26 | — | — | US | disclosed |