Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4084781 | 1.00 | OPRM1 (0.33) | OPRM1PHGDHHRH3HRH2HRH1 | |
| SCHEMBL4088693 | 0.90 | LTA4H (0.38) | HRH3HRH2HRH1 | |
| SCHEMBL4079655 | 0.90 | LTA4H (0.38) | HRH3HRH2HRH1 | |
| SCHEMBL8237729 | 0.90 | LTA4H (0.38) | HRH3HRH2HRH1 | |
| SCHEMBL24114570 | 0.84 | HRH3 (0.37) | HRH3HRH2HRH1 | |
| SCHEMBL5723633 | 0.84 | HRH3 (0.37) | HRH3HRH2HRH1 | |
| SCHEMBL23828684 | 0.82 | HRH3 (0.35) | PHGDHHRH3HRH2HRH1 | |
| SCHEMBL5789637 | 0.79 | CYP1A2 (0.35) | HRH3 | |
| SCHEMBL10867797 | 0.79 | ACHE (0.45) | — | |
| SCHEMBL9640541 | 0.77 | MAPK1 (0.43) | MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |