Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 6/20 | 0.35 |
| ▸ | CTSD | P07339 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 2/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | PDE6A | P16499 | 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 | |
|---|---|---|---|---|
| SCHEMBL21219055 | 1.00 | EGFR (0.41) | EGFRMAPK7BACE1CTSDCYP1A1 | |
| SCHEMBL15900276 | 0.79 | KMT2A (0.43) | EGFRMAPK7BACE1CTSDCYP1A1 | |
| SCHEMBL16485382 | 0.78 | EGFR (0.38) | EGFRMAPK7BACE1CTSDCYP1A1 | |
| SCHEMBL20568790 | 0.76 | CCR1 (0.42) | — | |
| SCHEMBL23170997 | 0.74 | TLR8 (0.43) | EGFR | |
| SCHEMBL22872946 | 0.72 | — | — | |
| SCHEMBL21219052 | 0.72 | GRIN2D (0.33) | BACE1CTSDBACE2 | |
| SCHEMBL4978434 | 0.72 | DYRK1A (0.37) | BACE1BACE2ALDH1A1MAPT | |
| SCHEMBL30946648 | 0.72 | GRIN2D (0.33) | BACE1CTSDBACE2 | |
| SCHEMBL4295596 | 0.71 | ESR1 (0.47) | EGFRCYP1A1CYP1B1ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112312909-B | Compounds for the treatment of kinase dependent disorders | 埃克塞里艾克西斯公司 | 2024-07-02 | — | — | CN | disclosed |