Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.50 |
| ▸ | CCNK | O75909 | 1/20 | 0.50 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7246063 | 0.86 | ADORA2A (0.59) | ADORA2AADORA1FEN1AURKAPARP1 | |
| SCHEMBL1647417 | 0.79 | RIPK1 (0.60) | NUDT1CCNKCDK12PARP1RIPK1 | |
| SCHEMBL29994379 | 0.79 | RIPK1 (0.60) | NUDT1CCNKCDK12PARP1RIPK1 | |
| SCHEMBL2299730 | 0.77 | ADORA2A (0.59) | ADORA2AADORA1FEN1AURKAPARP1 | |
| SCHEMBL4343732 | 0.73 | ADORA2A (0.59) | ADORA2AADORA1FEN1AURKAPARP1 | |
| SCHEMBL9694560 | 0.73 | ADORA1 (0.59) | ADORA2AADORA1CCNKCDK12FEN1 | |
| SCHEMBL3290252 | 0.73 | KDM4E (0.72) | KDM4EMEN1GRIN2DGRIN3BALDH1A1 | |
| SCHEMBL30731013 | 0.73 | NUDT1 (0.61) | NUDT1CCNKCDK12AURKADAO | |
| SCHEMBL20839895 | 0.73 | NUDT1 (0.61) | NUDT1CCNKCDK12AURKADAO | |
| SCHEMBL29721660 | 0.73 | NUDT1 (0.54) | NUDT1CCNKCDK12IKBKBCHUK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1397359-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002094823-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-11-28 | — | — | WO | disclosed |