Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 6/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 11/20 | 0.40 |
| ▸ | CHUK | O15111 | 11/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.37 |
| ▸ | CDK9 | P50750 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL26679908 | 0.99 | ENPP1 (0.48) | ENPP1ENPP3IKBKBCHUKROCK1 | |
| SCHEMBL26679922 | 0.92 | ENPP1 (0.55) | ENPP1ENPP3IKBKBCHUKROCK1 | |
| Hydrochloric Acid SCHEMBL29691676 | 0.91 | ENPP1 (0.57) | ENPP1ENPP3IKBKBCHUKROCK1 | |
| SCHEMBL29248806 | 0.84 | IKBKB (0.39) | IKBKBCHUKROCK1CCNT1CDK9 | |
| SCHEMBL24600593 | 0.84 | PDE3B (0.34) | IKBKBCHUKROCK1CCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL29691558 | 0.83 | IKBKB (0.39) | IKBKBCHUKROCK1CCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL26679839 | 0.83 | IKBKB (0.39) | IKBKBCHUKROCK1CCNT1CDK9 | |
| SCHEMBL29691620 | 0.82 | ENPP1 (0.56) | ENPP1ENPP3IKBKBCHUKROCK1 | |
| SCHEMBL24600558 | 0.82 | ENPP1 (0.56) | ENPP1ENPP3IKBKBCHUKROCK1 | |
| Hydrochloric Acid SCHEMBL26679901 | 0.82 | CDK9 (0.37) | IKBKBCHUKROCK1CCNT1CDK9 |
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 |