Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL5590071 | 0.89 | ALDH1A1 (0.37) | ALDH1A1CYP1A1KDM4EGAAHPGD | |
| SCHEMBL5590033 | 0.80 | CYP1A1 (0.40) | ALDH1A1CYP1A1KDM4EHPGD | |
| SCHEMBL6255121 | 0.80 | AHR (0.55) | ALDH1A1CYP1A1AHR | |
| SCHEMBL5589007 | 0.79 | GABRA1 (0.33) | AHR | |
| SCHEMBL380544 | 0.78 | — | — | |
| SCHEMBL18489010 | 0.78 | AHR (0.44) | ALDH1A1AHR | |
| SCHEMBL6789123 | 0.75 | — | — | |
| SCHEMBL6233357 | 0.75 | CYP1A1 (0.39) | ALDH1A1CYP1A1KDM4EGAAHPGD | |
| SCHEMBL4592669 | 0.72 | AHR (0.56) | ALDH1A1KDM4EAHR | |
| SCHEMBL5588626 | 0.71 | GABRA1 (0.36) | ALDH1A1CYP1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1521758-A1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004007509-A1 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-01-22 | — | — | WO | disclosed |