Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16166339 | 0.90 | IP6K1 (0.42) | AKR1B1 | |
| SCHEMBL16166482 | 0.90 | IP6K1 (0.42) | AKR1B1 | |
| SCHEMBL16166401 | 0.87 | AKR1B1 (0.40) | AKR1B1 | |
| SCHEMBL16166247 | 0.87 | AKR1B1 (0.40) | AKR1B1 | |
| SCHEMBL16166349 | 0.83 | AKR1B1 (0.40) | AKR1B1 | |
| SCHEMBL16175845 | 0.83 | AKR1B1 (0.40) | AKR1B1 | |
| SCHEMBL16166268 | 0.83 | ADAMTS5 (0.37) | AKR1B1 | |
| SCHEMBL16166745 | 0.83 | ELOVL6 (0.37) | AKR1B1 | |
| SCHEMBL16166530 | 0.82 | AKR1B1 (0.36) | AKR1B1 | |
| SCHEMBL16175826 | 0.81 | NPBWR1 (0.44) | AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |