Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.60 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 7/20 | 0.44 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | FBP1 | P09467 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.44 |
| ▸ | KIF5B | P33176 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26066568 | 0.90 | TNF (0.63) | TNFEGFRKDRFBP1ERBB2 | |
| SCHEMBL26066602 | 0.89 | TNF (0.61) | TNFEGFRKDRERBB2RET | |
| SCHEMBL26066662 | 0.88 | TNF (0.49) | TNFGRM4EGFRFBP1ERBB2 | |
| SCHEMBL26066665 | 0.87 | GRM4 (0.48) | TNFGRM4EGFRKDRPIK3CA | |
| SCHEMBL26066664 | 0.87 | TNF (0.48) | TNFGRM4EGFRKDRFBP1 | |
| SCHEMBL26066599 | 0.83 | TNF (0.64) | TNFGRM4EPHB4 | |
| SCHEMBL26066601 | 0.82 | TNF (0.50) | TNFGRM4EGFRKDRFBP1 | |
| SCHEMBL26066598 | 0.82 | TNF (0.57) | TNFGRM4EGFRKDRFBP1 | |
| SCHEMBL26066603 | 0.81 | TNF (0.45) | TNFGRM4EGFRKDRFBP1 | |
| SCHEMBL23624399 | 0.80 | TNF (0.62) | TNFEGFRCLK1PIK3CA |
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-2023155019-A1 | ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF | Sunnybrook Research Institute (CA) | 2023-08-24 | — | — | WO | disclosed |