Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 6/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 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 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3539796 | 1.00 | RAF1 (0.45) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3543898 | 0.91 | CDK8 (0.51) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3553133 | 0.91 | KDR (0.49) | RAF1BLMTDP1CDK8MEN1 | |
| SCHEMBL3543897 | 0.91 | CDK8 (0.51) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3553130 | 0.91 | KDR (0.49) | RAF1BLMTDP1CDK8MEN1 | |
| SCHEMBL13547798 | 0.90 | BLM (0.44) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3544333 | 0.89 | KDR (0.48) | BLMTDP1SMPD3CDK8KDM1A | |
| SCHEMBL3541850 | 0.89 | BLM (0.42) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3538915 | 0.89 | BLM (0.42) | RAF1BLMTDP1SMPD3CDK8 | |
| SCHEMBL3538909 | 0.89 | BLM (0.42) | RAF1BLMTDP1SMPD3CDK8 |
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 2 patents. 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 |
| 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 |