Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016372 | 0.82 | TSHR (0.39) | GABRA1GABRB2ALDH1A1CA2ESR1 | |
| SCHEMBL5596169 | 0.81 | CA2 (0.63) | GABRA1GABRB2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL28141474 | 0.81 | GABRA1 (0.59) | GABRA1GABRB2ALDH1A1TRPA1HPGD | |
| SCHEMBL10550628 | 0.79 | GABRA1 (0.62) | GABRA1GABRB2ALDH1A1TRPA1HPGD | |
| SCHEMBL5596439 | 0.79 | ESR1 (0.39) | GABRA1GABRB2ALDH1A1KDM4ECYP2C9 | |
| SCHEMBL15660504 | 0.78 | TSHR (0.39) | GABRA1GABRB2ALDH1A1CA2ESR1 | |
| SCHEMBL5596009 | 0.77 | CA2 (0.34) | GABRA1GABRB2ALDH1A1CYP3A4CA2 | |
| SCHEMBL11954767 | 0.76 | GABRA1 (0.53) | GABRA1GABRB2ALDH1A1TRPA1HPGD | |
| Bromide SCHEMBL29017423 | 0.76 | TSHR (0.38) | GABRA1GABRB2ALDH1A1CA2ESR1 | |
| Water SCHEMBL29265399 | 0.76 | TSHR (0.38) | GABRA1GABRB2ALDH1A1CA2ESR1 |
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 |