Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR4 | P22455 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 5/20 | 0.38 |
| ▸ | CTSA | P10619 | 5/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28637026 | 0.81 | BRAF (0.48) | FGFR4BRAFEGFRFYNCDK4 | |
| SCHEMBL28635967 | 0.78 | BRAF (0.46) | FGFR4BRAFEGFRCDK2CCNT1 | |
| SCHEMBL28650920 | 0.74 | FGFR4 (0.58) | FGFR4BRAFEGFRLMNACDK1 | |
| SCHEMBL28645231 | 0.72 | FGFR4 (0.42) | FGFR4BRAFEGFRCCNT1CDK9 | |
| SCHEMBL28652402 | 0.72 | CHEK1 (0.49) | FGFR4BRAFEGFRALDH1A1CCNT1 | |
| SCHEMBL28641910 | 0.72 | FGFR4 (0.42) | FGFR4BRAFEGFRCDK2CCNT1 | |
| SCHEMBL28637028 | 0.71 | BRAF (0.45) | FGFR4BRAFEGFRALDH1A1GAA | |
| SCHEMBL28645228 | 0.70 | BRAF (0.44) | FGFR4BRAFEGFRALDH1A1LMNA | |
| SCHEMBL28632697 | 0.70 | NTRK1 (0.45) | FGFR4BRAFEGFRCDK2CCNT1 | |
| SCHEMBL28643660 | 0.69 | FGFR4 (0.39) | FGFR4BRAFEGFRALDH1A1LMNA |
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 |