Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 3/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL31638393 | 0.85 | ATR (0.51) | TLR9ATRPRKDCADORA2AADORA1 | |
| SCHEMBL934804 | 0.85 | ATR (0.51) | TLR9ATRPRKDCADORA2AADORA1 | |
| SCHEMBL12489014 | 0.82 | ATR (0.56) | TLR9ATRPRKDCADORA2AADORA1 | |
| SCHEMBL29519952 | 0.82 | ATR (0.56) | TLR9ATRPRKDCADORA2AADORA1 | |
| SCHEMBL32688927 | 0.74 | ATR (0.66) | TLR9ATRPRKDC | |
| SCHEMBL6701248 | 0.74 | ATR (0.66) | TLR9ATRPRKDC | |
| SCHEMBL25351761 | 0.74 | FGFR1 (0.40) | ATRPRKDCMAPK1KDM4EMAPT | |
| SCHEMBL3524358 | 0.73 | BCHE (0.44) | TLR9MAPK1MAPTL3MBTL1NPC1 | |
| SCHEMBL16629029 | 0.73 | ATR (0.51) | TLR9ATRPRKDCADORA2AADORA1 | |
| SCHEMBL2681285 | 0.73 | SMN1; SMN2 (0.51) | TLR9ATRPRKDCADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021146629-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |
| WO-2021146629-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |