Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL7317624 | 0.88 | FFAR1 (0.54) | FFAR1DRD2DRD3 | |
| SCHEMBL7317620 | 0.88 | FFAR1 (0.54) | FFAR1DRD2DRD3 | |
| SCHEMBL7397923 | 0.85 | HRH3 (0.50) | HRH3FFAR1DRD2DRD3ITGB3 | |
| SCHEMBL10507799 | 0.80 | CYP4F2 (0.42) | HRH3DRD2DRD3ITGB3ITGA2B | |
| SCHEMBL14759266 | 0.80 | DRD2 (0.46) | HRH3DRD2DRD3GABRA1GABRB2 | |
| SCHEMBL7291991 | 0.79 | HTR6 (0.59) | HRH3ITGB3ITGA2B | |
| SCHEMBL12502781 | 0.79 | HTR6 (0.59) | HRH3ITGB3ITGA2B | |
| SCHEMBL5225019 | 0.79 | MTNR1A (0.67) | MTNR1AMTNR1B | |
| SCHEMBL11112307 | 0.78 | ESR1 (0.58) | DRD2DRD3DRD4 | |
| SCHEMBL10509567 | 0.78 | PNMT (0.43) | HRH3DRD2DRD3ITGB3ITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0145067-B1 | DERIVATIVES OF 2,2'-IMINOBISETHANOL | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-25 | — | — | EP | disclosed |
| US-4654362-A | CARDIOVASCULAR DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-03-31 | — | — | US | disclosed |
| EP-0145067-A2 | Derivatives of 2,2'-iminobisethanol | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-19 | — | — | EP | disclosed |