Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | EED | O75530 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | SSTR5 | P35346 | 3/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GPR6 | P46095 | 1/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698779 | 0.94 | HRH1 (0.45) | HRH1EEDKCNH2DRD4SSTR5 | |
| Fumaric Acid SCHEMBL9630920 | 0.93 | DRD4 (0.39) | HRH1EEDKCNH2DRD4CXCR4 | |
| SCHEMBL9630368 | 0.88 | HRH1 (0.43) | HRH1EEDKCNH2DRD4SSTR5 | |
| SCHEMBL9629371 | 0.88 | HTR1A (0.42) | HRH1EEDKCNH2DRD4CXCR4 | |
| Fumaric Acid SCHEMBL10818165 | 0.87 | GPR6 (0.41) | HRH1KCNH2DRD4SSTR5NR4A2 | |
| SCHEMBL9690993 | 0.85 | SLC6A9 (0.46) | EEDKCNH2CXCR4SSTR5ROCK2 | |
| SCHEMBL9306027 | 0.85 | SSTR5 (0.38) | HRH1EEDKCNH2DRD4SSTR5 | |
| SCHEMBL9631274 | 0.83 | KCNH2 (0.42) | HRH1EEDKCNH2DRD4SSTR5 | |
| SCHEMBL9699544 | 0.82 | HRH1 (0.47) | HRH1EEDKCNH2DRD4SSTR5 | |
| Fumaric Acid SCHEMBL9807334 | 0.82 | HTR1A (0.37) | EEDKCNH2CXCR4SSTR5ALDH1A1 |
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 |