Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601291 | 0.80 | TRPA1 (0.36) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL5601908 | 0.76 | CYP1A2 (0.40) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL5603142 | 0.71 | MAPK1 (0.35) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL25520 | 0.71 | TRPA1 (0.52) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL5602298 | 0.70 | NQO2 (0.33) | — | |
| SCHEMBL5601017 | 0.70 | CYP1A2 (0.40) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL5600270 | 0.70 | HSD11B1 (0.32) | TRPA1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL26292428 | 0.69 | AHR (0.41) | — | |
| SCHEMBL5601526 | 0.69 | NOS2 (0.35) | TRPA1MAPK1CYP1A2 | |
| SCHEMBL5601456 | 0.68 | CYP1A1 (0.35) | TRPA1MAPK1CYP1A2 |
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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |