Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9196002 | 1.00 | BACE1 (0.45) | BACE1RIPK2EGFRKDRTGFBR1 | |
| SCHEMBL9191805 | 0.89 | RIPK2 (0.45) | BACE1RIPK2EGFRKDRTGFBR1 | |
| SCHEMBL29966762 | 0.86 | DYRK1A (0.38) | TGFBR1ESR1ESR2PIK3CADYRK1A | |
| SCHEMBL17691815 | 0.84 | ACVR1 (0.39) | BACE1RIPK2EGFRKDRTGFBR1 | |
| SCHEMBL17691827 | 0.83 | DYRK1A (0.55) | BACE1RIPK2EGFRKDRTGFBR1 | |
| SCHEMBL29967067 | 0.81 | BACE1 (0.51) | BACE1MAP4K4DYRK1ACYP2B6 | |
| SCHEMBL29966531 | 0.79 | PGR (0.42) | PIK3CADYRK1AALK | |
| SCHEMBL17691991 | 0.78 | RIPK2 (0.36) | BACE1RIPK2EGFRKDRTGFBR1 | |
| SCHEMBL29871387 | 0.78 | CYP3A4 (0.47) | BACE1CYP3A4 | |
| SCHEMBL2852558 | 0.78 | CYP3A4 (0.47) | BACE1CYP3A4 |
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-115260122-B | Naphthothiazole derivative and synthesis method thereof | 陕西科技大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-115260122-A | Naphthothiazole derivative and synthesis method thereof | 陕西科技大学 | 2022-11-01 | — | — | CN | disclosed |