Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 17/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28248487 | 0.86 | SIGMAR1 (0.44) | HRH3SIGMAR1 | |
| SCHEMBL1938673 | 0.79 | HRH3 (0.74) | KCNH2HRH3 | |
| SCHEMBL1938671 | 0.79 | HRH3 (0.74) | KCNH2HRH3 | |
| SCHEMBL31237117 | 0.76 | HRH3 (0.46) | KCNH2HRH3 | |
| SCHEMBL28248997 | 0.76 | HRH3 (0.46) | KCNJ1KCNH2HRH3 | |
| SCHEMBL1239240 | 0.73 | SIGMAR1 (0.57) | KCNJ1KCNH2HRH3SIGMAR1 | |
| SCHEMBL28327856 | 0.73 | BRD4 (0.45) | KCNJ1KCNH2HRH3SIGMAR1 | |
| SCHEMBL21590260 | 0.70 | HRH3 (0.51) | HRH3 | |
| SCHEMBL21590190 | 0.70 | HRH3 (0.51) | HRH3 | |
| SCHEMBL21590149 | 0.70 | HRH3 (0.51) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108727380-A | A kind of BRD4 inhibitor and its preparation and application | 中国科学院上海药物研究所 | 2018-11-02 | — | — | CN | disclosed |