Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL787655 | 0.85 | CYP2C9 (0.75) | CYP2C9ADRA1AHRH1MAOA | |
| SCHEMBL31409543 | 0.83 | CYP2C9 (0.77) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL31409510 | 0.82 | CYP2C9 (0.75) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL787021 | 0.82 | CYP2C9 (0.83) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL804221 | 0.82 | CYP2C9 (0.67) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL2423371 | 0.81 | CYP2C9 (0.74) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL804658 | 0.81 | CYP2C9 (0.64) | CYP2C9ADRA1AHRH1MAOA | |
| SCHEMBL787518 | 0.80 | CYP2C9 (0.76) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL787657 | 0.79 | CYP2C9 (0.70) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL787815 | 0.79 | CYP2C9 (0.68) | CYP2C9ADRA1AHRH1 |
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-2011116356-A2 | POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | WO | disclosed |