Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 12/20 | 0.56 |
| ▸ | CNR2 | P34972 | 9/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4607380 | 0.95 | CNR1 (0.61) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL2018135 | 0.95 | CNR1 (0.61) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL2288238 | 0.95 | CNR1 (0.61) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL5275640 | 0.92 | CNR2 (0.56) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL8463209 | 0.92 | CNR2 (0.50) | CNR1CNR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2015954 | 0.91 | CNR2 (0.62) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL5273863 | 0.91 | CNR1 (0.55) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL5275927 | 0.91 | CNR1 (0.55) | CNR1CNR2NPC1RAB9ACASP3 | |
| SCHEMBL8472367 | 0.90 | CNR1 (0.50) | CNR1CNR2 | |
| SCHEMBL8453029 | 0.89 | CNR2 (0.52) | CNR1CNR2NPC1RAB9ALMNA |
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 1 patent. 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 |