Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.77 |
| ▸ | ERBB2 | P04626 | 15/20 | 0.77 |
| ▸ | ABL1 | P00519 | 4/20 | 0.77 |
| ▸ | INSR | P06213 | 4/20 | 0.77 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.77 |
| ▸ | CDK2 | P24941 | 4/20 | 0.77 |
| ▸ | PLK1 | P53350 | 3/20 | 0.77 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.77 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.77 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.77 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.77 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.77 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.77 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.77 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.77 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL3713537 | 0.89 | EGFR (0.86) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL8471544 | 0.87 | EGFR (1.00) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL2508037 | 0.87 | EGFR (1.00) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL11929435 | 0.86 | EGFR (0.79) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL14270530 | 0.86 | EGFR (0.81) | EGFRERBB2ABL1INSRPDGFRB | |
| Hydrochloric Acid SCHEMBL4087645 | 0.86 | EGFR (0.97) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL216849 | 0.85 | EGFR (0.85) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL19754074 | 0.85 | EGFR (0.85) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL1448527 | 0.85 | EGFR (0.85) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL1448530 | 0.85 | EGFR (0.79) | EGFRERBB2ABL1INSRPDGFRB |
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-113321642-A | Quinazoline imine compound and application and preparation method thereof | 北京鑫开元医药科技有限公司 | 2021-08-31 | — | — | CN | disclosed |