Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1155735 | 0.78 | TSHR (0.43) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL5596347 | 0.78 | CA2 (0.61) | ALDH1A1GABRA1GABRB2ATMKDM4E | |
| SCHEMBL5595990 | 0.76 | ALDH1A1 (0.59) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL5596214 | 0.75 | CA2 (0.33) | CA2 | |
| SCHEMBL2346803 | 0.74 | ALDH1A1 (0.56) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL5596307 | 0.71 | ALDH1A1 (0.44) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL11575272 | 0.71 | ALDH1A1 (1.00) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL64141 | 0.71 | — | — | |
| SCHEMBL2500374 | 0.71 | ALDH1A1 (1.00) | ALDH1A1GABRA1GABRB2TRPA1ATM | |
| SCHEMBL5596935 | 0.71 | ALDH1A1 (0.52) | ALDH1A1GABRA1GABRB2TRPA1ATM |
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 |