Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL300360 | 0.92 | CNR2 (0.46) | FKBP1AMAPK1CNR2EPHX1BCHE | |
| SCHEMBL300521 | 0.90 | CNR2 (0.43) | CNR2 | |
| SCHEMBL300678 | 0.88 | CNR2 (0.48) | FKBP1AMAPK1CNR2 | |
| SCHEMBL176782 | 0.86 | MAPK1 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19FKBP1A | |
| SCHEMBL300549 | 0.85 | THRB (0.41) | KDM4EALDH1A1 | |
| SCHEMBL300693 | 0.83 | CNR1 (0.40) | CNR2EPHX1 | |
| SCHEMBL176620 | 0.78 | CNR2 (0.48) | MAPK1CNR2ALDH1A1 | |
| SCHEMBL176638 | 0.78 | CNR2 (0.48) | MAPK1CNR2ALDH1A1 | |
| SCHEMBL300546 | 0.78 | VIPR2 (0.36) | CNR2 | |
| SCHEMBL300472 | 0.78 | PDE9A (0.38) | — |
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-1937259-B1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-11-23 | — | — | EP | claimed |