Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL6486053 | 0.76 | HCRTR1 (0.37) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL30907645 | 0.75 | HCRTR1 (0.34) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL16804955 | 0.75 | DHFR (0.38) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL13859138 | 0.74 | HCRTR1 (0.34) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL16486044 | 0.73 | CA1 (0.34) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL27878661 | 0.73 | AGBL2 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL30907566 | 0.73 | HCRTR1 (0.39) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL16783064 | 0.72 | ALDH1A1 (0.33) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL30907243 | 0.70 | MEN1 (0.36) | HCRTR1HCRTR2PDE2A | |
| SCHEMBL9939390 | 0.70 | HCRTR1 (0.32) | HCRTR1HCRTR2PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574788-A | Indole derivatives as crac modulators | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | disclosed |