Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.60 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20938142 | 0.97 | ESR1 (0.65) | ESR1ESR2PTGS2KIF11MAPK14 | |
| SCHEMBL13461181 | 0.84 | ESR1 (0.92) | ESR1ESR2PTGS2MAPK14EGFR | |
| SCHEMBL22649305 | 0.84 | ESR1 (0.92) | ESR1ESR2PTGS2MAPK14EGFR | |
| SCHEMBL3864662 | 0.84 | ESR1 (1.00) | ESR1ESR2PTGS2MAPK14EGFR | |
| SCHEMBL29799621 | 0.84 | ESR1 (1.00) | ESR1ESR2PTGS2MAPK14EGFR | |
| SCHEMBL22599752 | 0.82 | KIF11 (0.56) | ESR1ESR2PTGS2KIF11 | |
| SCHEMBL5605370 | 0.81 | ESR1 (0.79) | ESR1ESR2PTGS2MAPK14EGFR | |
| Carbazole SCHEMBL28000316 | 0.81 | ESR1 (0.92) | ESR1ESR2PTGS2MAPK14EGFR | |
| SCHEMBL22978415 | 0.79 | TNKS (0.46) | KIF11CNR1CNR2GPR55 | |
| SCHEMBL30662421 | 0.79 | TNKS (0.46) | KIF11CNR1CNR2GPR55 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |