Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL9288516 | 0.85 | KCNA5 (0.40) | CHRNB2CHRNA4KCNA5 | |
| SCHEMBL9288362 | 0.84 | CYP3A4 (0.54) | CHRNB2CHRNA4CYP3A4GRM2TDP1 | |
| SCHEMBL6584770 | 0.81 | CHRNB2 (0.54) | CHRNB2CHRNA4GRM2NR1H2NR1H3 | |
| SCHEMBL9284721 | 0.79 | CYP3A4 (0.41) | CYP3A4TDP1NOTUMKCNN4KCNA5 | |
| SCHEMBL10980698 | 0.78 | CYP3A4 (0.45) | CHRNB2CHRNA4HTTCYP3A4GRM2 | |
| SCHEMBL9284419 | 0.77 | CYP3A4 (0.52) | CHRNB2CHRNA4CYP3A4GRM2TDP1 | |
| SCHEMBL10995093 | 0.77 | S1PR1 (0.47) | CHRNB2CHRNA4HTTCYP3A4GRM2 | |
| SCHEMBL516401 | 0.76 | CRHR1 (0.44) | CYP3A4 | |
| SCHEMBL12653608 | 0.74 | NR1H2 (0.48) | NR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL11023677 | 0.74 | CRHR1 (0.43) | CYP3A4 |
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 |