Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATXN2 | Q99700 | 7/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30537234 | 0.82 | XDH (0.50) | ATXN2GABRA5IRAK4PIK3CACA2 | |
| SCHEMBL20502377 | 0.82 | XDH (0.50) | ATXN2GABRA5IRAK4PIK3CACA2 | |
| SCHEMBL28525630 | 0.76 | EPHX2 (0.45) | GABRA5JMJD6 | |
| SCHEMBL8277614 | 0.73 | GRM4 (0.42) | IRAK4GRM4SLC2A1 | |
| SCHEMBL23014422 | 0.73 | JMJD6 (0.46) | JMJD6PIK3CA | |
| SCHEMBL15129186 | 0.73 | JMJD6 (0.46) | JMJD6 | |
| SCHEMBL20502392 | 0.71 | ATXN2 (0.41) | ATXN2GABRA5CA2GRM4 | |
| SCHEMBL15716837 | 0.71 | CCNA2 (0.43) | IRAK4XDHGRM4 | |
| SCHEMBL15716719 | 0.70 | IRAK4 (0.38) | IRAK4XDHGRM4 | |
| SCHEMBL30939176 | 0.69 | LOXL2 (0.52) | IRAK4GRM4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124538-A | Bicyclic compounds as ATX inhibitors | 豪夫迈·罗氏有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-107635995-B | Bicyclic compounds as ATX inhibitors | 豪夫迈·罗氏有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-110204550-B | Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors | 豪夫迈·罗氏有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-107614505-B | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2021-05-07 | — | — | CN | disclosed |