Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL22828751 | 0.84 | CYP2A6 (0.59) | CYP2A6CYP11B1CYP11B2GPBAR1CYP17A1 | |
| SCHEMBL30546874 | 0.79 | CYP2A6 (0.46) | CYP2A6CYP11B1CYP11B2CYP17A1PTGS2 | |
| SCHEMBL32667309 | 0.79 | GABRG2 (0.47) | CYP2A6CYP11B1CYP11B2GABRA1GABRG2 | |
| SCHEMBL20406418 | 0.77 | CYP17A1 (0.47) | CYP17A1CYP1A2TDO2 | |
| SCHEMBL30444888 | 0.76 | GABRG2 (0.50) | CYP2A6GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL26984944 | 0.76 | GABRG2 (0.42) | CYP2A6CYP11B1CYP11B2GABRA1GABRG2 | |
| SCHEMBL12497182 | 0.76 | GABRG2 (0.44) | CYP2A6GABRA1GABRG2GABRB3GABRA5 | |
| Ammonia Solution, Strong SCHEMBL16037372 | 0.75 | GABRG2 (0.49) | CYP2A6GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL15243551 | 0.74 | CYP17A1 (0.44) | CYP2A6CYP11B1CYP11B2CYP17A1CYP1A2 | |
| SCHEMBL19440910 | 0.73 | CYP17A1 (0.43) | CYP2A6CYP11B1CYP11B2CYP17A1CYP1A2 |
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-2970314-A1 | SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2016-01-20 | — | — | EP | claimed |
| WO-2014165070-A1 | SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-09 | — | — | WO | claimed |