Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.73 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.73 |
| ▸ | CA2 | P00918 | 9/20 | 0.65 |
| ▸ | CA1 | P00915 | 7/20 | 0.65 |
| ▸ | CA12 | O43570 | 7/20 | 0.62 |
| ▸ | CA9 | Q16790 | 7/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297148 | 0.85 | CA2 (0.67) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL6725783 | 0.85 | PTGS2 (1.00) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL5028730 | 0.84 | CYP2A6 (0.58) | PTGS2PTGS1CA2CA1CYP2A6 | |
| SCHEMBL3382108 | 0.82 | CYP2A6 (0.56) | PTGS2PTGS1CA2CA1CYP2A6 | |
| SCHEMBL6721706 | 0.82 | PTGS2 (0.70) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL6724223 | 0.82 | PTGS2 (0.75) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL4575215 | 0.82 | CA2 (0.79) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL28022299 | 0.81 | PTGS2 (0.73) | PTGS2PTGS1CYP2A6DRD1 | |
| SCHEMBL2891611 | 0.81 | CYP2A6 (0.54) | PTGS2PTGS1CA2CA1CYP2A6 | |
| SCHEMBL8993401 | 0.81 | PTGS2 (0.68) | PTGS2PTGS1CA2CA1 |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |