Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 16/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 16/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9949057 | 0.95 | HCRTR1 (0.41) | HCRTR1HCRTR2GRM5CES2 | |
| SCHEMBL9948745 | 0.92 | HCRTR1 (0.38) | HCRTR1HCRTR2GRM5CES2 | |
| SCHEMBL9949076 | 0.90 | HCRTR1 (0.38) | HCRTR1HCRTR2GRM5CES2 | |
| SCHEMBL12700557 | 0.90 | HCRTR1 (0.40) | HCRTR1HCRTR2CES2 | |
| SCHEMBL12700478 | 0.89 | HCRTR1 (0.39) | HCRTR1HCRTR2MTORCES2PIK3CA | |
| SCHEMBL9948877 | 0.85 | HCRTR1 (0.44) | HCRTR1HCRTR2CES2 | |
| SCHEMBL9949015 | 0.84 | HCRTR1 (0.43) | HCRTR1HCRTR2MTORCES2PIK3CA | |
| SCHEMBL9948925 | 0.82 | SLC6A2 (0.42) | HCRTR1HCRTR2CES2 | |
| SCHEMBL2131622 | 0.82 | HCRTR1 (0.57) | HCRTR1HCRTR2 | |
| SCHEMBL9948794 | 0.81 | HCRTR1 (0.39) | HCRTR1HCRTR2CES2PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012101487-A1 | DI/TRI-AZA-SPIRO-C9-C11ALKANES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |