Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13547798 | 0.93 | BLM (0.44) | BLMTDP1CDK8MAP3K7MAP4K2 | |
| SCHEMBL3541832 | 0.92 | BLM (0.39) | BLMTDP1ACHECDK8MAP3K7 | |
| SCHEMBL3541836 | 0.92 | BLM (0.39) | BLMTDP1ACHECDK8MAP3K7 | |
| SCHEMBL3538909 | 0.92 | BLM (0.42) | BLMTDP1CDK8MAP3K7MAP4K2 | |
| SCHEMBL3538915 | 0.92 | BLM (0.42) | BLMTDP1CDK8MAP3K7MAP4K2 | |
| SCHEMBL3551094 | 0.90 | BLM (0.41) | BLMTDP1CDK8MAP3K7MAP4K2 | |
| SCHEMBL3551098 | 0.90 | BLM (0.41) | BLMTDP1CDK8MAP3K7MAP4K2 | |
| SCHEMBL3543898 | 0.89 | CDK8 (0.51) | BLMTDP1CDK8MAPTMEN1 | |
| SCHEMBL3543897 | 0.89 | CDK8 (0.51) | BLMTDP1CDK8MAPTMEN1 | |
| SCHEMBL13547794 | 0.89 | MAP3K7 (0.45) | MAP3K7MAP4K2MAPK14RETABL1 |
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 |