Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601984 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5602863 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5600909 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5600703 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5603075 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5600697 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5601723 | 0.98 | KCNH2 (0.36) | KCNH2ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL5601644 | 0.94 | NOS2 (0.31) | — | |
| SCHEMBL5601137 | 0.86 | — | — | |
| SCHEMBL5600717 | 0.79 | — | — |
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 |