Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 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 | |
|---|---|---|---|---|
| SCHEMBL21886673 | 0.87 | HRH3 (0.32) | HRH3TBK1QDPR | |
| SCHEMBL25987137 | 0.87 | ERBB2 (0.38) | HRH3ERBB2TBK1 | |
| SCHEMBL30988800 | 0.83 | ERBB2 (0.35) | ERBB2TBK1 | |
| SCHEMBL21886826 | 0.81 | GPR119 (0.40) | — | |
| SCHEMBL21886632 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL28555129 | 0.79 | ERBB2 (0.39) | ERBB2TBK1 | |
| SCHEMBL21886628 | 0.79 | ERBB2 (0.39) | ERBB2TBK1 | |
| SCHEMBL21886731 | 0.78 | KCNA3 (0.32) | TBK1 | |
| SCHEMBL21886693 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL25987141 | 0.73 | ERBB2 (0.37) | HRH3ERBB2TBK1 |
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-2020057511-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | SUZHOU ZANRONG PHARMA LIMITED (CN) | 2020-03-26 | — | — | WO | disclosed |