Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | LAP3 | P28838 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30098486 | 1.00 | LTA4H (0.43) | LTA4HLAP3PTPN1SLC15A1ABCB1 | |
| SCHEMBL23306460 | 0.95 | LTA4H (0.47) | LTA4HLAP3SLC15A1ABCB1ALDH1A1 | |
| SCHEMBL23332010 | 0.95 | LTA4H (0.47) | LTA4HLAP3SLC15A1ABCB1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28836548 | 0.92 | LTA4H (0.43) | LTA4HLAP3PTPN1SLC15A1ABCB1 | |
| Trifluoroacetic Acid SCHEMBL30098504 | 0.92 | LTA4H (0.43) | LTA4HLAP3PTPN1SLC15A1ABCB1 | |
| SCHEMBL23306466 | 0.87 | LTA4H (0.47) | LTA4HLAP3SLC15A1ABCB1ALDH1A1 | |
| SCHEMBL23332190 | 0.87 | LTA4H (0.47) | LTA4HLAP3SLC15A1ABCB1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6784266 | 0.83 | LTA4H (0.50) | LTA4HLAP3PTPN1SLC15A1ITGB3 | |
| SCHEMBL23332228 | 0.80 | REN (0.48) | PTPN1ABCB1ITGB3ITGA2B | |
| SCHEMBL23306289 | 0.80 | REN (0.48) | PTPN1ABCB1ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-115052588-A | Prodrugs of itaconate and methyl itaconate | 约翰霍普金斯大学 | 2022-09-13 | — | — | CN | disclosed |