Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CAMKK2 | Q96RR4 | 9/20 | 0.47 |
| ▸ | CAMKK1 | Q8N5S9 | 7/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL50486 | 1.00 | PTGDR2 (0.53) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL29036685 | 0.98 | PTGDR2 (0.51) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| SCHEMBL2731512 | 0.98 | ALDH1A1 (0.50) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| Bicarbonate SCHEMBL11642792 | 0.96 | PTGDR2 (0.49) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| SCHEMBL3634253 | 0.94 | ALDH1A1 (0.50) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| SCHEMBL15648151 | 0.92 | ALDH1A1 (0.48) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| Benzophenone SCHEMBL16165918 | 0.92 | AKR1C3 (0.50) | PTGDR2ACMSDALDH1A1ALOX15CYP2C9 | |
| SCHEMBL10457353 | 0.90 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9CYP2D6 | |
| SCHEMBL4109572 | 0.90 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9CYP2D6 | |
| SCHEMBL30175300 | 0.90 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024017258-A1 | EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | 百极弘烨(南通)医药科技有限公司 | 2024-01-25 | — | — | WO | disclosed |