Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 10/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29008480 | 0.89 | FGFR1 (0.39) | DHFR | |
| SCHEMBL29008495 | 0.88 | MAPT (0.36) | DHFRALDH1A1 | |
| SCHEMBL29008474 | 0.83 | HCAR2 (0.37) | — | |
| SCHEMBL29008496 | 0.81 | HPGD (0.33) | KDM4EALDH1A1 | |
| SCHEMBL29008445 | 0.78 | CTSS (0.34) | — | |
| SCHEMBL29008489 | 0.77 | HCAR2 (0.32) | — | |
| SCHEMBL29008492 | 0.77 | CTSS (0.33) | — | |
| SCHEMBL29008504 | 0.76 | SHMT2 (0.31) | — | |
| SCHEMBL29008499 | 0.76 | L3MBTL1 (0.39) | ALDH1A1 | |
| SCHEMBL29008449 | 0.75 | CDK5 (0.31) | — |
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-116194537-A | Combination therapy with adenosine receptor antagonists | 泰昂治疗公司 | 2023-05-30 | — | — | CN | disclosed |