Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TNFRSF1A | P19438 | 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 | |
|---|---|---|---|---|
| SCHEMBL5596958 | 0.88 | CA2 (0.48) | CA2GABRA1GABRB2NPSR1TSHR | |
| SCHEMBL5596090 | 0.82 | CA2 (0.57) | CA2GABRA1GABRB2NPSR1TSHR | |
| SCHEMBL5596527 | 0.79 | ALDH1A1 (0.43) | GABRA1GABRB2TSHRALDH1A1ATM | |
| SCHEMBL5596158 | 0.78 | ESR1 (0.35) | ESR1ESR2 | |
| SCHEMBL5596914 | 0.74 | ESR1 (0.41) | CA2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL6275546 | 0.73 | CA2 (0.55) | CA2GABRA1GABRB2NPSR1TSHR | |
| SCHEMBL5596086 | 0.73 | CA2 (0.55) | CA2GABRA1GABRB2NPSR1TSHR | |
| SCHEMBL5596229 | 0.72 | CA2 (0.64) | CA2GABRA1GABRB2NPSR1TSHR | |
| Benzene SCHEMBL3767076 | 0.71 | CA2 (0.94) | CA2GABRA1GABRB2NPSR1TSHR | |
| SCHEMBL5596647 | 0.71 | ALDH1A1 (0.44) | TSHRALDH1A1TDP1ESR1ESR2 |
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 |