Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.37 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26123679 | 0.82 | MAP4K4 (0.39) | PTGS2KCNH2 | |
| SCHEMBL26123559 | 0.76 | IDO1 (0.48) | PTGS2PTGS1 | |
| SCHEMBL26119405 | 0.76 | PTGS2 (0.43) | PTGS2PTGS1KCNH2 | |
| SCHEMBL30441922 | 0.75 | HSD11B1 (0.39) | HSD11B1PTGS2PTGS1ACSS2 | |
| SCHEMBL5723364 | 0.74 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL26121332 | 0.71 | MAP4K1 (0.48) | — | |
| SCHEMBL30360598 | 0.71 | MAP4K1 (0.48) | — | |
| SCHEMBL30360602 | 0.69 | JAK2 (0.41) | PTGS2 | |
| SCHEMBL30360601 | 0.69 | MAP4K1 (0.47) | — | |
| SCHEMBL26516664 | 0.69 | JAK2 (0.41) | PTGS2 |
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-115956077-A | Substituted heteroaryl compounds as TLR9 inhibitors | 百时美施贵宝公司 | 2023-04-11 | — | — | CN | disclosed |