Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11416388 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL19953068 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL11416385 | 1.00 | CA1 (0.57) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL12416601 | 0.89 | PTGS2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL2454124 | 0.89 | CA2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL2454125 | 0.89 | CA2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL11411078 | 0.89 | CA2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL20186948 | 0.89 | PTGS2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL2455350 | 0.89 | PTGS2 (0.67) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL20186937 | 0.89 | CA2 (0.67) | CA1CA2CA9CA12PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111196791-B | Chiral gamma-butyrolactone derivative and synthesis method and application thereof | 中山大学 | 2022-03-08 | — | — | CN | disclosed |
| CN-111196791-A | Chiral gamma-butyrolactone derivative and synthesis method and application thereof | 中山大学 | 2020-05-26 | — | — | CN | disclosed |