Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5596300 | 0.79 | CA2 (0.43) | CA2ALDH1A1GABRA1GABRB2NPSR1 | |
| SCHEMBL5596345 | 0.77 | GABRA1 (0.55) | CA2ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL5596169 | 0.77 | CA2 (0.63) | CA2ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL3119798 | 0.71 | ALDH1A1 (0.41) | CA2ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL5596865 | 0.70 | ALDH1A1 (0.48) | CA2ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL13714161 | 0.69 | CRHBP (0.50) | ALDH1A1CYP3A4NPSR1 | |
| SCHEMBL13714274 | 0.68 | CYP2C19 (0.40) | ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL1368134 | 0.66 | KCNN4 (0.41) | ESR1ESR2ALDH1A1CYP3A4 | |
| Methyl Alcohol SCHEMBL10482145 | 0.66 | ALDH1A1 (0.44) | ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL9016372 | 0.66 | TSHR (0.39) | CA2ESR1ESR2ALDH1A1GABRA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7279537-B2 | Transition metal complexes and polymerization catalysts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-10-09 | — | — | US | disclosed |
| US-20060229195-A1 | Transition metal complexes and polymerization catalysts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-10-12 | — | — | US | disclosed |
| EP-1557423-A1 | TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS | Sumitomo Chemical Company, Limited (JP) | 2005-07-27 | — | — | EP | disclosed |