Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5600523 | 0.98 | KCNH2 (0.38) | KCNH2ALOX5PTGS2CYP3A4HCAR2 | |
| SCHEMBL5600793 | 0.98 | KCNH2 (0.38) | KCNH2ALOX5PTGS2CYP3A4HCAR2 | |
| SCHEMBL5601648 | 0.98 | KCNH2 (0.38) | KCNH2ALOX5PTGS2CYP3A4HCAR2 | |
| SCHEMBL5600164 | 0.98 | KCNH2 (0.38) | KCNH2ALOX5PTGS2CYP3A4HCAR2 | |
| SCHEMBL5603255 | 0.98 | KCNH2 (0.38) | KCNH2ALOX5PTGS2CYP3A4HCAR2 | |
| SCHEMBL5603181 | 0.79 | ACHE (0.36) | KCNH2ALOX5PTGS2CYP3A4TDP1 | |
| SCHEMBL5601594 | 0.78 | ACHE (0.39) | KCNH2ALOX5PTGS2CYP3A4HCAR3 | |
| SCHEMBL5601985 | 0.72 | HCAR3 (0.33) | CYP3A4TDP1L3MBTL1HCAR3HCAR2 | |
| SCHEMBL9748643 | 0.64 | ALDH1A1 (0.41) | KCNH2PTGS2CYP3A4TDP1L3MBTL1 | |
| SCHEMBL5679424 | 0.62 | TSHR (0.50) | KCNH2PTGS2CYP3A4ESR1ADRA2A |
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 |