Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6254964 | 0.98 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CNR2ALDH1A1 | |
| SCHEMBL6257142 | 0.74 | CNR2 (0.38) | CYP3A4CYP2D6CYP2C9CNR2ALDH1A1 | |
| SCHEMBL6257145 | 0.74 | CNR2 (0.38) | CYP3A4CYP2D6CYP2C9CNR2ALDH1A1 | |
| SCHEMBL6257038 | 0.74 | CNR2 (0.34) | CYP3A4CYP2D6CYP2C9CNR2 | |
| SCHEMBL6257035 | 0.74 | CNR2 (0.34) | CYP3A4CYP2D6CYP2C9CNR2 | |
| SCHEMBL6254252 | 0.74 | CNR2 (0.34) | CYP3A4CYP2D6CYP2C9CNR2 | |
| SCHEMBL6254250 | 0.74 | CNR2 (0.34) | CYP3A4CYP2D6CYP2C9CNR2 | |
| SCHEMBL3423038 | 0.73 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CNR2ALDH1A1 | |
| SCHEMBL8743960 | 0.72 | USP2 (0.41) | CYP2C9ALDH1A1GAATSHRNPSR1 | |
| SCHEMBL6560084 | 0.70 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CNR2ALDH1A1 |
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 |