Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 7/20 | 0.33 |
| ▸ | KDR | P35968 | 7/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
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 SCHEMBL26679884 | 0.99 | CA1 (0.36) | CA1CA2CA9CA12CA14 | |
| SCHEMBL24600496 | 0.90 | ENPP1 (0.37) | CA1CA2CA9CA12PDGFRB | |
| Hydrochloric Acid SCHEMBL26679925 | 0.89 | ENPP1 (0.36) | CA1CA2CA9CA12PDGFRB | |
| SCHEMBL26877863 | 0.86 | PDGFRB (0.36) | PDGFRBKDRRAF1BRAFP2RX7 | |
| Hydrochloric Acid SCHEMBL29691627 | 0.85 | PDGFRB (0.36) | PDGFRBKDRRAF1BRAFP2RX7 | |
| Hydrochloric Acid SCHEMBL26679878 | 0.85 | PDGFRB (0.36) | PDGFRBKDRRAF1BRAFP2RX7 | |
| SCHEMBL24600512 | 0.85 | FERMT2 (0.32) | PDGFRBKDRP2RX7 | |
| Hydrochloric Acid SCHEMBL26679880 | 0.83 | PDGFRB (0.31) | PDGFRBKDRP2RX7 | |
| Hydrochloric Acid SCHEMBL26679944 | 0.83 | PDGFRB (0.35) | PDGFRBKDRRAF1BRAFCDK4 | |
| Hydrochloric Acid SCHEMBL29691542 | 0.82 | TNNI3K (0.39) | CA1CA2CA9CA12CA14 |
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 |