Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL804241 | 0.73 | MRGPRX4 (0.60) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL787619 | 0.72 | CYP2C9 (0.52) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL804297 | 0.70 | CYP2C9 (0.74) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL787513 | 0.69 | CYP2C9 (0.97) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL787603 | 0.69 | CYP2C9 (0.93) | CYP2C9ADRA1AHRH1 | |
| SCHEMBL787378 | 0.69 | CYP2C9 (0.97) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL6888905 | 0.69 | MRGPRX4 (0.61) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL31312330 | 0.69 | CYP2C9 (0.63) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL787213 | 0.68 | CYP2C9 (0.93) | CYP2C9ADRA1AHRH1CYP1A2 | |
| SCHEMBL31312311 | 0.68 | CYP2C9 (0.82) | CYP2C9ADRA1AHRH1CYP1A2 |
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 |