Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | PRKCB | P05771 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29691523 | 1.00 | GRM2 (0.46) | GRM2L3MBTL1AKT1NAMPTKDM4E | |
| SCHEMBL29691648 | 0.87 | CA12 (0.51) | GRM2AKT1 | |
| SCHEMBL24600500 | 0.87 | CA12 (0.51) | GRM2AKT1 | |
| SCHEMBL24600497 | 0.79 | L3MBTL1 (0.47) | GRM2L3MBTL1AKT1NAMPTHDAC1 | |
| SCHEMBL29691612 | 0.79 | L3MBTL1 (0.47) | GRM2L3MBTL1AKT1NAMPTHDAC1 | |
| SCHEMBL29248792 | 0.77 | ENPP1 (0.44) | — | |
| SCHEMBL4792884 | 0.77 | NEK1 (0.53) | L3MBTL1RPS6KA3 | |
| SCHEMBL29248789 | 0.76 | CAMKK2 (0.35) | GRM2LMNA | |
| SCHEMBL20782574 | 0.76 | ENPP3 (0.62) | GRM2L3MBTL1AKT1NAMPTHDAC1 | |
| SCHEMBL20770858 | 0.76 | GRM2 (0.46) | GRM2L3MBTL1AKT1NAMPTHDAC1 |
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-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | disclosed |