Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645228 | 0.88 | BRAF (0.44) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28645231 | 0.88 | FGFR4 (0.42) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28652402 | 0.88 | CHEK1 (0.49) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28637030 | 0.83 | BRAF (0.43) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28643660 | 0.81 | FGFR4 (0.39) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28643653 | 0.81 | IKBKB (0.44) | BRAFCSNK2A1CCNT1CDK9CDK4 | |
| SCHEMBL28637026 | 0.81 | BRAF (0.48) | BRAFCSNK2A1CDK4CCND1FGFR4 | |
| SCHEMBL28632697 | 0.80 | NTRK1 (0.45) | BRAFCCNT1CDK9CDK4CCND1 | |
| SCHEMBL28924728 | 0.79 | WEE1 (0.44) | BRAFFGFR4EGFRMAPTWEE1 | |
| SCHEMBL28641910 | 0.78 | FGFR4 (0.42) | BRAFCCNT1CDK9CDK4CCND1 |
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 |