Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.34 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25356726 | 0.83 | NOTUM (0.34) | NOTUMHSP90AB1KDM1APTGS2 | |
| SCHEMBL25357577 | 0.83 | NOTUM (0.44) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL26036597 | 0.83 | HSP90AB1 (0.35) | NOTUMHSP90AB1 | |
| Hydrochloric Acid SCHEMBL25355887 | 0.82 | NOTUM (0.33) | NOTUMLOXL2HSP90AB1KDM1APTGS2 | |
| SCHEMBL25416332 | 0.76 | CA12 (0.41) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL26066624 | 0.76 | CA12 (0.39) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL28174204 | 0.74 | NOTUM (0.43) | CA12CA1CA2CA9NOTUM | |
| SCHEMBL12825274 | 0.74 | GBA1 (0.48) | — | |
| SCHEMBL24345690 | 0.73 | P2RX7 (0.38) | — | |
| SCHEMBL26066626 | 0.73 | HRH4 (0.38) | CA12CA1CA2CA9NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |