Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.57 |
| ▸ | CNR2 | P34972 | 5/20 | 0.57 |
| ▸ | EGFR | P00533 | 5/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | RNF114 | Q9Y508 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4605995 | 0.93 | CNR1 (0.64) | CNR1CNR2EGFRNR3C2PDE5A | |
| SCHEMBL2020884 | 0.90 | CNR1 (0.58) | CNR1CNR2EGFRNR3C2PDE5A | |
| SCHEMBL2018962 | 0.90 | CNR1 (0.58) | CNR1CNR2EGFRNR3C2PDE5A | |
| SCHEMBL4607833 | 0.90 | CNR1 (0.58) | CNR1CNR2EGFRNR3C2PDE5A | |
| Hydrochloric Acid SCHEMBL2020887 | 0.89 | CNR1 (0.57) | CNR1CNR2EGFRNR3C2PDE5A | |
| SCHEMBL4606764 | 0.89 | CNR1 (0.57) | CNR1CNR2EGFRNR3C2 | |
| SCHEMBL4783707 | 0.89 | CNR1 (0.57) | CNR1CNR2EGFRNR3C2PDE5A | |
| SCHEMBL4607305 | 0.86 | CNR1 (0.54) | CNR1CNR2EGFRPDE5A | |
| SCHEMBL2018106 | 0.86 | CNR1 (0.56) | CNR1CNR2EGFRPDE5AGABRA2 | |
| SCHEMBL4607107 | 0.85 | CNR1 (0.53) | CNR1CNR2EGFRNR3C2PDE5A |
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 6 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 | claimed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | claimed |
| EP-1743887-A1 | Thiocarbonyl-substituted pyrazoline compounds, their preparation and use as CB1 modulators | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | claimed |
| 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 |
| EP-1743887-A1 | Thiocarbonyl-substituted pyrazoline compounds, their preparation and use as CB1 modulators | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | disclosed |