Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR4 | P22455 | 1/20 | 0.58 |
| ▸ | BRAF | P15056 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SYK | P43405 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632656 | 0.87 | FGFR4 (0.46) | FGFR4BRAFEGFRSYK | |
| SCHEMBL28632697 | 0.85 | NTRK1 (0.45) | FGFR4BRAFROCK2EGFRCHEK1 | |
| SCHEMBL28924728 | 0.84 | WEE1 (0.44) | FGFR4BRAFVCPEGFRMAPK1 | |
| SCHEMBL28652402 | 0.83 | CHEK1 (0.49) | FGFR4BRAFCDK1KDREGFR | |
| SCHEMBL28637026 | 0.83 | BRAF (0.48) | FGFR4BRAFEGFR | |
| SCHEMBL28635967 | 0.81 | BRAF (0.46) | FGFR4BRAFEGFRWEE1 | |
| SCHEMBL28645231 | 0.79 | FGFR4 (0.42) | FGFR4BRAFCDK1KDREGFR | |
| SCHEMBL28637028 | 0.77 | BRAF (0.45) | FGFR4BRAFCDK1KDREGFR | |
| SCHEMBL28637030 | 0.76 | BRAF (0.43) | FGFR4BRAFEGFR | |
| SCHEMBL28645228 | 0.76 | BRAF (0.44) | FGFR4BRAFEGFRCYP1A2CYP3A4 |
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 |