Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 16/20 | 0.64 |
| ▸ | ABL1 | P00519 | 4/20 | 0.60 |
| ▸ | INSR | P06213 | 4/20 | 0.60 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.60 |
| ▸ | CDK2 | P24941 | 4/20 | 0.60 |
| ▸ | PLK1 | P53350 | 4/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.59 |
| ▸ | GAK | O14976 | 1/20 | 0.56 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27736411 | 0.84 | EGFR (0.67) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL27756937 | 0.84 | ERBB2 (0.62) | EGFRERBB2ABL1INSRPDGFRB | |
| Tert-Butyl Formate SCHEMBL27736479 | 0.83 | EGFR (0.55) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL27736376 | 0.82 | EGFR (0.67) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL5567988 | 0.82 | EGFR (0.69) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL27736483 | 0.81 | EGFR (0.68) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL17083347 | 0.81 | EGFR (0.74) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL27736471 | 0.81 | EGFR (0.68) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL17075806 | 0.81 | EGFR (0.75) | EGFRERBB2ABL1INSRPDGFRB | |
| SCHEMBL20365436 | 0.80 | EGFR (0.72) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101367794-B | Preparation method for quinazoline derivants and medical uses thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-101367794-A | Preparation method for quinazoline derivants and medical uses thereof | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2009-02-18 | — | — | CN | disclosed |