Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200403 | 0.83 | MC4R (0.41) | SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL16200399 | 0.81 | SIGMAR1 (0.39) | HRH3MEN1KMT2ACXCR4 | |
| SCHEMBL16200157 | 0.76 | CYP2A13 (0.43) | CYP2A13NOS3NOS1NOS2HRH3 | |
| SCHEMBL16200163 | 0.72 | SLC2A1 (0.46) | CYP2A13MEN1KMT2AALDH1A1 | |
| SCHEMBL16200184 | 0.71 | CYP2A13 (0.35) | CYP2A13SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL16200185 | 0.70 | CYP2A13 (0.35) | CYP2A13SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL12871802 | 0.69 | GAA (0.45) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL19634970 | 0.68 | LMNA (0.37) | CYP2A13SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL12126240 | 0.66 | CYP2A13 (0.42) | CYP2A13HRH3MEN1KMT2AALDH1A1 | |
| SCHEMBL31462310 | 0.65 | CYP2A13 (0.43) | CYP2A13SMN1; SMN2HRH3MEN1KMT2A |
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-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |