Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 7/20 | 0.69 |
| ▸ | BRAF | P15056 | 3/20 | 0.69 |
| ▸ | RET | P07949 | 2/20 | 0.49 |
| ▸ | CDK8 | P49336 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 10/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 10/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 10/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 10/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 10/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 10/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3542126 | 0.88 | RAF1 (0.70) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3545759 | 0.85 | RAF1 (0.69) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3540164 | 0.84 | RAF1 (0.83) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3549024 | 0.83 | RAF1 (0.73) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3543805 | 0.83 | BRAF (0.73) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3548059 | 0.83 | RAF1 (0.76) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3542023 | 0.83 | RAF1 (0.70) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL13547702 | 0.82 | BRAF (0.68) | RAF1BRAFRETCDK8LMNA | |
| SCHEMBL3547149 | 0.82 | RAF1 (0.80) | RAF1BRAFRETCDK8HDAC3 | |
| SCHEMBL3553220 | 0.82 | BRAF (0.75) | RAF1BRAFRETCDK8LMNA |
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 |