Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 7/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.49 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644097 | 0.92 | CA2 (0.70) | CA2RECQLCA1CA9CA5A | |
| Hydrochloric Acid SCHEMBL3516882 | 0.90 | CA2 (0.68) | CA2RECQLCA1CA9CA5A | |
| SCHEMBL4063879 | 0.90 | CA2 (0.68) | CA2RECQLCA1CA9CA5A | |
| SCHEMBL27568568 | 0.86 | CA2 (0.63) | CA2RECQLCA1CA9CA5A | |
| Phenylmethanesulfonamide SCHEMBL28388564 | 0.79 | CA2 (0.83) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL1793990 | 0.79 | CA2 (0.72) | CA2RECQLCA1CA9CA5A | |
| SCHEMBL4061411 | 0.78 | CA2 (0.70) | CA2RECQLCA1CA9CA5A | |
| SCHEMBL3093248 | 0.78 | CA2 (0.65) | CA2CA1CA9CA5A | |
| SCHEMBL6378860 | 0.76 | CA2 (0.68) | CA2CA1CA9CA5AMAPT | |
| SCHEMBL1837364 | 0.76 | CA2 (0.68) | CA2CA1CA9CA5AMAPT |
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-110452143-B | Method for mildly and efficiently synthesizing 1, 3-disulfide derivative | 西南民族大学 | 2020-04-28 | — | — | CN | disclosed |