Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 8/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4604892 | 0.86 | CNR1 (0.46) | CNR1CNR2PTGS2PDE5AGRM5 | |
| SCHEMBL4606961 | 0.84 | CNR1 (0.57) | CNR1CNR2 | |
| SCHEMBL4604890 | 0.81 | CNR1 (0.47) | CNR1CNR2PTGS2PDE5ANOTUM | |
| SCHEMBL4606276 | 0.79 | CNR1 (0.46) | CNR1CNR2PTGS2PDE5ANOTUM | |
| SCHEMBL1748630 | 0.79 | CNR1 (0.65) | CNR1CNR2PDE5ANOTUM | |
| SCHEMBL1748594 | 0.79 | CNR1 (0.65) | CNR1CNR2PDE5ANOTUM | |
| SCHEMBL1748655 | 0.79 | CNR1 (0.65) | CNR1CNR2PDE5ANOTUM | |
| SCHEMBL31589469 | 0.79 | CNR1 (0.65) | CNR1CNR2PDE5ANOTUM | |
| Hydrochloric Acid SCHEMBL1749138 | 0.78 | CNR1 (0.64) | CNR1CNR2PTGS2PDE5ANOTUM | |
| SCHEMBL2021231 | 0.76 | CNR1 (0.59) | CNR1CNR2PDE5ANOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |