Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18009455 | 0.86 | DPP4 (0.40) | HRH3DPP4KCNH2 | |
| SCHEMBL18009448 | 0.84 | DPP4 (0.39) | HRH3DPP4KCNH2 | |
| SCHEMBL18009457 | 0.81 | HRH3 (0.33) | HRH3DPP4 | |
| SCHEMBL18009286 | 0.76 | HCAR2 (0.41) | — | |
| SCHEMBL18009276 | 0.76 | HCAR2 (0.41) | — | |
| SCHEMBL18009201 | 0.75 | HCAR2 (0.39) | — | |
| SCHEMBL18009198 | 0.74 | HCAR2 (0.38) | — | |
| SCHEMBL18009449 | 0.72 | KDM4E (0.30) | DPP4 | |
| SCHEMBL18009453 | 0.72 | — | — | |
| SCHEMBL18009187 | 0.72 | HCAR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |