Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13184392 | 0.81 | CYP2A13 (0.40) | CYP2A13HRH3NPSR1 | |
| SCHEMBL14044109 | 0.80 | ADORA2A (0.40) | ADORA2AADORA1KCNH2SMN1; SMN2CYP2A13 | |
| SCHEMBL13683032 | 0.78 | SLC2A1 (0.42) | KCNH2SMN1; SMN2CYP2A13HTTNPSR1 | |
| SCHEMBL16200394 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1KCNH2SMN1; SMN2CYP2A13 | |
| SCHEMBL27721308 | 0.69 | HRH3 (0.63) | ADORA2AADORA1SMN1; SMN2HTTHRH3 | |
| SCHEMBL16200157 | 0.68 | CYP2A13 (0.43) | CYP2A13HRH3NPSR1 | |
| SCHEMBL5200192 | 0.65 | SMN1; SMN2 (0.37) | KCNH2SMN1; SMN2CYP2A13HRH3 | |
| SCHEMBL952226 | 0.65 | ALOX15 (0.55) | ADORA2AADORA1SMN1; SMN2HTT | |
| SCHEMBL16200163 | 0.64 | SLC2A1 (0.46) | CYP2A13NPSR1 | |
| SCHEMBL16200193 | 0.63 | SLC2A1 (0.42) | CYP2A13NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7435830-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |