Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL5596015 | 1.00 | TDP1 (0.36) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL18486443 | 0.77 | CYP3A4 (0.36) | TDP1CYP3A4ESR1ESR2MAOB | |
| SCHEMBL18486444 | 0.77 | CYP3A4 (0.36) | TDP1CYP3A4ESR1ESR2MAOB | |
| SCHEMBL5596469 | 0.77 | TSHR (0.36) | CYP3A4TSHR | |
| SCHEMBL5596471 | 0.77 | TSHR (0.36) | CYP3A4TSHR | |
| SCHEMBL5595991 | 0.73 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL5596320 | 0.70 | TSHR (0.41) | TDP1TSHRMAOB | |
| SCHEMBL5596316 | 0.70 | TSHR (0.41) | TDP1TSHRMAOB | |
| SCHEMBL5595992 | 0.67 | TDP1 (0.39) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL5595931 | 0.66 | MAPT (0.35) | ESR1ESR2 |
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 |