Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.72 |
| ▸ | GAK | O14976 | 1/20 | 0.72 |
| ▸ | ERBB2 | P04626 | 14/20 | 0.64 |
| ▸ | ERBB4 | Q15303 | 3/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | ERBB3 | P21860 | 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 | |
|---|---|---|---|---|
| SCHEMBL15928184 | 0.97 | EGFR (0.72) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL29578157 | 0.93 | EGFR (0.80) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL4865102 | 0.92 | EGFR (0.75) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL9910683 | 0.91 | EGFR (0.74) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL9910673 | 0.90 | EGFR (0.76) | EGFRGAKERBB2ERBB4ERBB3 | |
| SCHEMBL17538565 | 0.90 | EGFR (0.70) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL9910672 | 0.90 | EGFR (0.86) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL29578401 | 0.89 | EGFR (0.80) | EGFRGAKERBB2ERBB4HDAC3 | |
| SCHEMBL9910671 | 0.88 | EGFR (0.75) | EGFRGAKERBB2ERBB4ERBB3 | |
| SCHEMBL12093969 | 0.87 | EGFR (0.75) | EGFRGAKERBB2ERBB4ERBB3 |
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-2014117698-A1 | TRICYCLIC DERIVATIVE CONTAINING QUINAZOLINE STRUCTURE, PREPARATION METHOD AND USE THEREOF | 江苏奥赛康药业股份有限公司 (CN) | 2014-08-07 | — | — | WO | disclosed |