Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 18/20 | 0.59 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | ROS1 | P08922 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30070623 | 1.00 | EGFR (0.59) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL29973838 | 0.92 | EGFR (0.70) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL14663321 | 0.92 | EGFR (0.70) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL28646094 | 0.92 | EGFR (0.55) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL28639357 | 0.92 | EGFR (0.55) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL28639358 | 0.92 | EGFR (0.55) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL30070701 | 0.92 | EGFR (0.55) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL19336981 | 0.91 | EGFR (0.61) | EGFRMKNK1MKNK2MLNRKDM1A | |
| SCHEMBL19337084 | 0.91 | EGFR (0.63) | EGFRMKNK1MKNK2HDAC1HDAC3 | |
| SCHEMBL19337010 | 0.91 | EGFR (0.63) | EGFRMKNK1MKNK2HDAC1HDAC3 |
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-113354622-B | P-phenylenediamine LSD1 inhibitor and preparation method thereof | 沈阳药科大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-113354622-A | P-phenylenediamine LSD1 inhibitor and preparation method thereof | 沈阳药科大学 | 2021-09-07 | — | — | CN | disclosed |