Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 8/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9450822 | 0.78 | CA1 (0.47) | L3MBTL1CA1CA2ACHECNR2 | |
| SCHEMBL12462408 | 0.76 | CA1 (0.73) | L3MBTL1CA1CA2ACHECNR2 | |
| SCHEMBL12462066 | 0.75 | KEAP1 (0.50) | KEAP1CYP1A2CYP2C19 | |
| SCHEMBL12462064 | 0.75 | KEAP1 (0.50) | KEAP1CYP1A2CYP2C19 | |
| Sulfuric Acid SCHEMBL8070174 | 0.74 | CA1 (0.44) | L3MBTL1CA1CA2ACHECNR2 | |
| SCHEMBL31744376 | 0.73 | ALDH1A1 (0.41) | L3MBTL1CA1CA2ACHEPOLB | |
| SCHEMBL31744455 | 0.73 | ALDH1A1 (0.41) | L3MBTL1CA1CA2ACHEPOLB | |
| Sulfuric Acid SCHEMBL8604218 | 0.73 | CA1 (0.43) | L3MBTL1CA1CA2ACHECNR2 | |
| SCHEMBL4727352 | 0.72 | GABRA1 (0.37) | CA1CA2ACHEPOLBCYP1A2 | |
| SCHEMBL3885828 | 0.72 | CNR2 (0.57) | CNR2POLBCYP1A2CYP3A4CYP2D6 |
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-2139468-A1 | HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2010-01-06 | — | — | EP | disclosed |
| WO-2009023292-A1 | HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-02-19 | — | — | WO | disclosed |