Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL4161424 | 0.73 | CYP2A6 (0.47) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL5600613 | 0.73 | ACHE (0.39) | CYP1A2TSHRACHEALDH1A1CA1 | |
| SCHEMBL5599985 | 0.71 | — | — | |
| SCHEMBL7950742 | 0.67 | ACHE (0.47) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL40704 | 0.63 | — | — | |
| SCHEMBL5494561 | 0.63 | TRPA1 (0.61) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL5600004 | 0.62 | CYP2A6 (0.36) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| Benzene SCHEMBL22829865 | 0.60 | TRPA1 (0.58) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| SCHEMBL7695351 | 0.60 | TRPA1 (0.58) | CYP2A6CYP1A2TSHRACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL22194330 | 0.60 | TRPA1 (0.58) | CYP2A6CYP1A2TSHRACHEALDH1A1 |
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 |