Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226178 | 0.90 | AAK1 (0.31) | — | |
| SCHEMBL5230515 | 0.89 | DRD4 (0.30) | DRD4DRD3 | |
| SCHEMBL5229202 | 0.89 | — | — | |
| SCHEMBL5227556 | 0.88 | — | — | |
| SCHEMBL5227647 | 0.86 | F10 (0.33) | — | |
| SCHEMBL5228480 | 0.85 | — | — | |
| SCHEMBL2901686 | 0.84 | ALDH1A1 (0.36) | ALDH1A1KDM4EDRD2HTR2AHRH1 | |
| SCHEMBL5227292 | 0.81 | — | — | |
| SCHEMBL5225931 | 0.81 | TP53 (0.33) | KDM4E | |
| SCHEMBL5224958 | 0.80 | — | — |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |