Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.69 |
| ▸ | GAK | O14976 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 11/20 | 0.65 |
| ▸ | EPHA2 | P29317 | 6/20 | 0.65 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.65 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.61 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.60 |
| ▸ | INSR | P06213 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL30638111 | 1.00 | EGFR (0.69) | EGFRGAKKDREPHA2EPHB4 | |
| SCHEMBL1446127 | 0.91 | EGFR (0.85) | EGFRGAKKDREPHA2EPHB4 | |
| SCHEMBL30638122 | 0.87 | EGFR (0.69) | EGFRGAKKDREPHA2EPHB4 | |
| SCHEMBL29087937 | 0.87 | EGFR (0.69) | EGFRGAKKDREPHA2EPHB4 | |
| SCHEMBL14964683 | 0.86 | EGFR (0.80) | EGFRGAKKDRHDAC3HDAC4 | |
| SCHEMBL30968994 | 0.85 | EGFR (0.82) | EGFRKDREPHB4ERBB2HDAC3 | |
| SCHEMBL3328655 | 0.85 | EGFR (0.82) | EGFRKDREPHB4ERBB2HDAC3 | |
| Hydrochloric Acid SCHEMBL641764 | 0.85 | EGFR (0.80) | EGFRKDREPHB4ERBB2HDAC3 | |
| SCHEMBL29087930 | 0.84 | EGFR (0.71) | EGFRGAKKDRERBB2ERBB4 | |
| SCHEMBL30638091 | 0.84 | EGFR (0.71) | EGFRGAKKDRERBB2ERBB4 |
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-116655599-A | Synthesis and application of EGFR allosteric inhibitors | 江南大学 | 2023-08-29 | — | — | CN | disclosed |