Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30441922 | 0.86 | HSD11B1 (0.39) | PTGS2PTGS1HDAC6ALDH1A1HPGD | |
| SCHEMBL31576222 | 0.84 | PTGS2 (0.37) | PTGS2PTGS1HDAC6ALDH1A1 | |
| SCHEMBL26072762 | 0.84 | PTGS2 (0.37) | PTGS2PTGS1HDAC6ALDH1A1 | |
| SCHEMBL26072089 | 0.78 | PTGS2 (0.40) | PTGS2PTGS1 | |
| SCHEMBL29395815 | 0.74 | KDM5A (0.41) | PTGS2PTGS1 | |
| SCHEMBL26072992 | 0.70 | CCR2 (0.38) | — | |
| SCHEMBL31576212 | 0.70 | CCR2 (0.38) | — | |
| SCHEMBL31576225 | 0.70 | PTGS2 (0.37) | PTGS2PTGS1HDAC6 | |
| SCHEMBL26072706 | 0.70 | PTGS2 (0.37) | PTGS2PTGS1HDAC6 | |
| SCHEMBL26072193 | 0.69 | CCR2 (0.44) | — |
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-115867549-A | 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis | 百时美施贵宝公司 | 2023-03-28 | — | — | CN | disclosed |