Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 2/20 | 0.49 |
| ▸ | BRAF | P15056 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3545141 | 0.85 | RAF1 (0.68) | RAF1BRAFKMT2AMEN1HDAC3 | |
| SCHEMBL3545759 | 0.79 | RAF1 (0.69) | RAF1BRAFKMT2AMEN1LMNA | |
| SCHEMBL3545334 | 0.78 | BRAF (0.53) | GAAPOLBRAF1BRAFKMT2A | |
| SCHEMBL3545439 | 0.73 | BRAF (0.51) | RAF1BRAF | |
| SCHEMBL3545071 | 0.72 | RAF1 (0.70) | RAF1BRAFHDAC3HDAC4HDAC1 | |
| SCHEMBL3547019 | 0.71 | RAF1 (0.76) | RAF1BRAFKMT2AMEN1LMNA | |
| SCHEMBL3545010 | 0.70 | RAF1 (0.73) | RAF1BRAFHDAC3HDAC4HDAC1 | |
| SCHEMBL5128867 | 0.70 | CDK8 (0.45) | POLBKMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL3553739 | 0.69 | BRAF (0.49) | GAARAF1BRAFKMT2AMEN1 | |
| SCHEMBL3545280 | 0.68 | BRAF (0.54) | RAF1BRAFHDAC3HDAC4HDAC1 |
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 | claimed |