Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23421743 | 1.00 | ADORA2A (0.47) | ADORA2AMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL29684597 | 0.82 | NOTUM (0.40) | — | |
| SCHEMBL23421465 | 0.82 | NOTUM (0.40) | — | |
| SCHEMBL24771475 | 0.78 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL29684282 | 0.78 | ALDH1A1 (0.36) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL24770863 | 0.78 | ALDH1A1 (0.36) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL29684555 | 0.77 | MAPT (0.36) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL24771633 | 0.77 | MAPT (0.36) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL24920767 | 0.72 | ADORA2A (0.41) | ADORA2AMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL2558015 | 0.70 | ADORA2A (0.64) | ADORA2AMAPTKDM4EALDH1A1HPGD |
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-114585617-A | Fluorine-containing pyrimidine compound and preparation method thereof | 优迈特株式会社 | 2022-06-03 | — | — | CN | disclosed |