Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25733152 | 0.84 | SMN1; SMN2 (0.44) | XDHADORA2AEGFRPI4KAPI4K2B | |
| SCHEMBL24528584 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MAPTPTGS2POLB | |
| SCHEMBL29681058 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MAPTPTGS2POLB | |
| SCHEMBL29681135 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS2 | |
| SCHEMBL24528654 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS2 | |
| SCHEMBL24528639 | 0.76 | ATM (0.37) | XDHADORA2AALDH1A1FGFR1 | |
| SCHEMBL24528680 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MAPTPTGS2 | |
| SCHEMBL29680897 | 0.74 | PIK3CA (0.46) | ALDH1A1MAPTTSHRPOLB | |
| SCHEMBL29681271 | 0.73 | ALDH1A1 (0.39) | CCNB2CDK1CCNB1CDK5CDK5R1 | |
| SCHEMBL24528681 | 0.73 | ALDH1A1 (0.39) | CCNB2CDK1CCNB1CDK5CDK5R1 |
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-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |