Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 13/20 | 0.43 |
| ▸ | CHUK | O15111 | 13/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24600501 | 1.00 | CCNK (0.46) | CCNKCDK12IKBKBCHUKCYP2C9 | |
| SCHEMBL29691620 | 0.85 | ENPP1 (0.56) | IKBKBCHUKENPP1ENPP3NEK1 | |
| SCHEMBL26679935 | 0.85 | IKBKB (0.46) | IKBKBCHUKENPP1ENPP3NEK1 | |
| SCHEMBL24600558 | 0.85 | ENPP1 (0.56) | IKBKBCHUKENPP1ENPP3NEK1 | |
| SCHEMBL26877422 | 0.79 | ADRB2 (0.41) | IKBKBCHUKENPP1ENPP3ROCK1 | |
| SCHEMBL29691507 | 0.79 | IKBKB (0.53) | IKBKBCHUKCYP2C9NEK1ROCK1 | |
| SCHEMBL26679888 | 0.79 | IKBKB (0.53) | IKBKBCHUKCYP2C9NEK1ROCK1 | |
| SCHEMBL29248809 | 0.78 | ENPP1 (0.43) | IKBKBCHUKCYP2C9ENPP1ENPP3 | |
| SCHEMBL24600598 | 0.78 | ESR1 (0.41) | IKBKBCHUKCYP2C9ENPP1ENPP3 | |
| SCHEMBL29691610 | 0.78 | ESR1 (0.41) | IKBKBCHUKCYP2C9ENPP1ENPP3 |
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-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | claimed |
| WO-2022146022-A1 | NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF | 주식회사 티씨노바이오사이언스 | 2022-07-07 | — | — | WO | disclosed |