Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9287384 | 0.84 | CHRNB2 (0.50) | CYP3A4CHRNB2CHRNA4NR1H2NR1H3 | |
| SCHEMBL9284419 | 0.84 | CYP3A4 (0.52) | CYP3A4CHRNB2CHRNA4NR1H2NR1H3 | |
| SCHEMBL6584770 | 0.80 | CHRNB2 (0.54) | CHRNB2CHRNA4NR1H2NR1H3GRM2 | |
| SCHEMBL9286753 | 0.80 | CYP3A4 (0.40) | CYP3A4TDP1CHRNA7 | |
| SCHEMBL10620529 | 0.77 | ESR1 (0.47) | TDP1TP53 | |
| SCHEMBL10995093 | 0.76 | S1PR1 (0.47) | CYP3A4CHRNB2CHRNA4GRM2TDP1 | |
| SCHEMBL9288638 | 0.74 | HRH4 (0.35) | TDP1 | |
| SCHEMBL10560727 | 0.74 | CYP3A4 (0.69) | CYP3A4CHRNB2CHRNA4GRM2 | |
| SCHEMBL9288445 | 0.74 | MAPT (0.40) | CYP3A4 | |
| SCHEMBL9281764 | 0.73 | DRD2 (0.45) | TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012075232-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME | TREVENA, INC. (US) | 2012-06-07 | — | — | WO | disclosed |