Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28248461 | 0.86 | KCNJ1 (0.49) | SIGMAR1HRH3 | |
| SCHEMBL30361421 | 0.84 | ALDH1A1 (0.60) | SIGMAR1ALDH1A1KDM4EHRH2HRH3 | |
| SCHEMBL14930169 | 0.83 | MC4R (0.53) | SIGMAR1HRH2 | |
| SCHEMBL12499953 | 0.78 | KDM4E (0.40) | ALDH1A1KDM4EHRH3RORC | |
| SCHEMBL30361428 | 0.78 | KCNJ1 (0.61) | SIGMAR1ALDH1A1KDM4EHRH3 | |
| SCHEMBL4610176 | 0.77 | ALDH1A1 (0.64) | ALDH1A1KDM4EHRH3 | |
| SCHEMBL4610173 | 0.77 | ALDH1A1 (0.64) | ALDH1A1KDM4EHRH3 | |
| SCHEMBL20203572 | 0.75 | ALDH1A1 (0.45) | SIGMAR1ALDH1A1HRH3 | |
| SCHEMBL20203571 | 0.75 | ALDH1A1 (0.45) | SIGMAR1ALDH1A1HRH3 | |
| SCHEMBL13046482 | 0.75 | MAPK1 (0.52) | SIGMAR1ALDH1A1KDM4E |
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 |