Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.52 |
| ▸ | CNR2 | P34972 | 5/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2018135 | 0.91 | CNR1 (0.61) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL4607380 | 0.91 | CNR1 (0.61) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL2288238 | 0.91 | CNR1 (0.61) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL5275640 | 0.88 | CNR2 (0.56) | CNR1CNR2DRD2DRD4NPC1 | |
| SCHEMBL5274265 | 0.88 | CNR1 (0.56) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL5275481 | 0.88 | CNR1 (0.48) | CNR1CNR2EGFRBRAFKDR | |
| SCHEMBL2015954 | 0.88 | CNR2 (0.62) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL5273863 | 0.87 | CNR1 (0.55) | CNR1CNR2MEN1KMT2ANPC1 | |
| SCHEMBL5275927 | 0.87 | CNR1 (0.55) | CNR1CNR2NPC1RAB9A | |
| SCHEMBL2019845 | 0.86 | CNR1 (0.69) | CNR1CNR2 |
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-1849776-A1 | Azepane- or Azocane-substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-31 | — | — | EP | disclosed |
| EP-1849776-A1 | Azepane- or Azocane-substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-31 | — | — | EP | disclosed |