Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2931039 | 0.88 | HCRTR2 (0.39) | HCRTR1HCRTR2PIK3CD | |
| SCHEMBL2931912 | 0.88 | APOB (0.38) | HCRTR1HCRTR2PIK3CDALDH1A1 | |
| SCHEMBL2930073 | 0.86 | PDE4B (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL2930954 | 0.86 | POLB (0.39) | HCRTR1HCRTR2PIK3CDPIK3CAALDH1A1 | |
| SCHEMBL2928151 | 0.86 | HCRTR2 (0.35) | HCRTR1HCRTR2CYP3A4GRIN2BFFAR1 | |
| SCHEMBL2925490 | 0.85 | PIK3CD (0.37) | HCRTR1HCRTR2PIK3CDALDH1A1 | |
| SCHEMBL2924242 | 0.85 | FABP4 (0.42) | HCRTR1HCRTR2PIK3CDPIK3CAALDH1A1 | |
| SCHEMBL2929656 | 0.84 | HCRTR2 (0.37) | HCRTR1HCRTR2CYP3A4GRIN2BPIK3CA | |
| SCHEMBL2925366 | 0.84 | HCRTR1 (0.39) | HCRTR1HCRTR2CHRNA7 | |
| SCHEMBL2926251 | 0.84 | HCRTR2 (0.39) | HCRTR1HCRTR2PIK3CA |
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-2079690-B1 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-09-15 | — | — | EP | disclosed |