Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | WEE1 | P30291 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28652402 | 0.79 | CHEK1 (0.49) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28641910 | 0.79 | FGFR4 (0.42) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28632309 | 0.79 | EGFR (0.40) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28643660 | 0.75 | FGFR4 (0.39) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28637028 | 0.73 | BRAF (0.45) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28645228 | 0.72 | BRAF (0.44) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28645231 | 0.72 | FGFR4 (0.42) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28632697 | 0.72 | NTRK1 (0.45) | EGFRFGFR4CCNT1CDK9CDK4 | |
| SCHEMBL28924728 | 0.71 | WEE1 (0.44) | EGFRFGFR4WEE1BRAFIGF1R | |
| SCHEMBL28643653 | 0.71 | IKBKB (0.44) | EGFRFGFR4CCNT1CDK9CDK4 |
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 |