Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | WEE1 | P30291 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.39 |
| ▸ | CDK9 | P50750 | 4/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28924728 | 0.87 | WEE1 (0.44) | NTRK1FGFR4EGFRBRAFWEE1 | |
| SCHEMBL28645228 | 0.86 | BRAF (0.44) | NTRK1FGFR4EGFRBRAFCCNT1 | |
| SCHEMBL28652402 | 0.86 | CHEK1 (0.49) | FGFR4EGFRBRAFWEE1CCNT1 | |
| SCHEMBL28650920 | 0.85 | FGFR4 (0.58) | FGFR4EGFRBRAFWEE1CHEK1 | |
| SCHEMBL28632656 | 0.84 | FGFR4 (0.46) | FGFR4EGFRBRAF | |
| SCHEMBL28637030 | 0.84 | BRAF (0.43) | FGFR4EGFRBRAFCCNT1CDK9 | |
| SCHEMBL28645231 | 0.81 | FGFR4 (0.42) | NTRK1FGFR4EGFRBRAFWEE1 | |
| SCHEMBL28635967 | 0.81 | BRAF (0.46) | FGFR4EGFRBRAFWEE1CCNT1 | |
| SCHEMBL28641910 | 0.81 | FGFR4 (0.42) | NTRK1FGFR4EGFRBRAFWEE1 | |
| SCHEMBL28637028 | 0.80 | BRAF (0.45) | FGFR4EGFRBRAFWEE1CCNT1 |
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 |