Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 10/20 | 0.41 |
| ▸ | EGFR | P00533 | 9/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.40 |
| ▸ | BLK | P51451 | 1/20 | 0.40 |
| ▸ | BMX | P51813 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21835265 | 0.73 | EGFR (0.64) | ERBB2EGFRLCKERBB4ERBB3 | |
| SCHEMBL16213057 | 0.73 | EGFR (0.61) | ERBB2EGFRLCKERBB4ERBB3 | |
| SCHEMBL2247576 | 0.73 | EGFR (0.64) | ERBB2EGFRLCKERBB4ERBB3 | |
| SCHEMBL215759 | 0.72 | MAPT (0.58) | SYKERBB2EGFRNPC1RAB9A | |
| SCHEMBL29780767 | 0.72 | MAPT (0.58) | SYKERBB2EGFRNPC1RAB9A | |
| SCHEMBL30218362 | 0.72 | MAPT (0.58) | SYKERBB2EGFRNPC1RAB9A | |
| SCHEMBL21835464 | 0.72 | EGFR (0.37) | SYKERBB2EGFRLCKERBB4 | |
| SCHEMBL18979220 | 0.72 | EGFR (0.52) | ERBB2EGFRLCKERBB4ERBB3 | |
| Hydrochloric Acid SCHEMBL2256739 | 0.72 | EGFR (0.61) | ERBB2EGFRLCKERBB4ERBB3 | |
| SCHEMBL16212523 | 0.71 | EGFR (0.62) | ERBB2EGFRLCKERBB4ERBB3 |
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-102731485-B | 4-(substituted benzene amino) quinazoline derivant and preparation method thereof, pharmaceutical composition and purposes | 齐鲁制药有限公司 | 2016-06-15 | — | — | CN | disclosed |