Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL5603275 | 0.98 | CA1 (0.33) | CA1CA2KDM4EALDH1A1TSHR | |
| Chloromethane SCHEMBL5603605 | 0.92 | CA1 (0.33) | CA1CA2KDM4EALDH1A1TSHR | |
| SCHEMBL5602695 | 0.92 | ALDH1A1 (0.34) | CA1CA2KDM4EALDH1A1TSHR | |
| Chloromethane SCHEMBL6064733 | 0.90 | CA1 (0.34) | CA1CA2KDM4EALDH1A1TSHR | |
| SCHEMBL5601962 | 0.88 | — | — | |
| SCHEMBL5601861 | 0.85 | — | — | |
| SCHEMBL5603025 | 0.84 | CA1 (0.40) | CA1CA2KDM4EALDH1A1TSHR | |
| SCHEMBL5600754 | 0.83 | CA1 (0.34) | CA1CA2KDM4E | |
| SCHEMBL5603771 | 0.82 | CA1 (0.41) | CA1CA2KDM4EALDH1A1TSHR | |
| SCHEMBL5602649 | 0.81 | CA1 (0.34) | CA1CA2KDM4EALDH1A1TSHR |
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 2 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 |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |