Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | ABL2 | P42684 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29818623 | 1.00 | EGFR (0.56) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL14303313 | 1.00 | EGFR (0.56) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL11016653 | 0.97 | EGFR (0.54) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL9656291 | 0.85 | FBP1 (0.62) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL9657482 | 0.85 | FBP1 (0.62) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL7104672 | 0.83 | FBP1 (0.60) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL7104674 | 0.83 | FBP1 (0.60) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL8629347 | 0.83 | FBP1 (0.64) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL8629342 | 0.83 | FBP1 (0.64) | EGFRABL1ABL2FBP1MAPT | |
| SCHEMBL16930378 | 0.79 | FBP1 (0.53) | EGFRABL1ABL2FBP1MAPT |
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-113683535-B | Compound containing cyanoguanidine structure and preparation method and application thereof | 中国药科大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113683535-A | Compound containing cyanoguanidine structure and preparation method and application thereof | 中国药科大学 | 2021-11-23 | — | — | CN | disclosed |