Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601804 | 0.81 | TRPA1 (0.38) | TRPA1BACE1 | |
| SCHEMBL5600601 | 0.77 | TRPA1 (0.40) | TRPA1BACE1 | |
| SCHEMBL5602867 | 0.75 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL30004363 | 0.73 | TRPA1 (0.50) | TRPA1 | |
| SCHEMBL5602298 | 0.73 | NQO2 (0.33) | NQO2 | |
| SCHEMBL24828 | 0.72 | TRPA1 (0.54) | TRPA1BACE1 | |
| SCHEMBL3869329 | 0.69 | TRPA1 (0.40) | TRPA1BACE1NQO2 | |
| SCHEMBL5603569 | 0.67 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL3422095 | 0.66 | MAOA (0.42) | NQO2 | |
| SCHEMBL29120320 | 0.64 | DRD2 (0.34) | TRPA1BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |