Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.73 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.63 |
| ▸ | SCD | O00767 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6725659 | 0.85 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL5028730 | 0.84 | CYP2A6 (0.58) | PTGS2HSD11B1SCDCYP2A6PTGS1 | |
| SCHEMBL8651904 | 0.83 | PTGS2 (0.61) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL3382108 | 0.82 | CYP2A6 (0.56) | PTGS2HSD11B1SCDCYP2A6PTGS1 | |
| SCHEMBL6725806 | 0.82 | PTGS2 (0.75) | PTGS2PTGS1 | |
| SCHEMBL6724084 | 0.82 | PTGS2 (0.70) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL5502727 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6728725 | 0.81 | PTGS2 (0.68) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL28820907 | 0.81 | PTGS2 (0.73) | PTGS2CYP2A6DRD1PTGS1 | |
| SCHEMBL2891611 | 0.81 | CYP2A6 (0.54) | PTGS2HSD11B1SCDCYP2A6PTGS1 |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | claimed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |