Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 8/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PYGM | P11217 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9630608 | 0.93 | SLC6A9 (0.43) | SLC6A9MAPTENPP2TP53POLB | |
| SCHEMBL9629312 | 0.89 | SLC6A9 (0.47) | SLC6A9MAPTENPP2EEDTP53 | |
| SCHEMBL9690741 | 0.87 | SLC6A9 (0.46) | SLC6A9MAPTENPP2TP53POLB | |
| SCHEMBL9691136 | 0.87 | SLC6A9 (0.44) | SLC6A9MAPTENPP2EEDTP53 | |
| SCHEMBL9690941 | 0.85 | HRH1 (0.41) | MAPTEEDTP53ROCK2ROCK1 | |
| SCHEMBL9629649 | 0.84 | SLC6A9 (0.44) | SLC6A9MAPTENPP2EEDTP53 | |
| Fumaric Acid SCHEMBL9630404 | 0.84 | SLC6A9 (0.43) | SLC6A9MAPTENPP2TP53POLB | |
| SCHEMBL9629371 | 0.84 | HTR1A (0.42) | SLC6A9MAPTEEDTP53CXCR4 | |
| SCHEMBL10753371 | 0.83 | SLC6A9 (0.49) | SLC6A9MAPTENPP2TP53POLB | |
| SCHEMBL9538015 | 0.81 | SLC6A9 (0.65) | SLC6A9MAPTENPP2TP53POLB |
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-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |