Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 3/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 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 | |
|---|---|---|---|---|
| SCHEMBL16166482 | 1.00 | IP6K1 (0.42) | IP6K1AKR1B1HTTALDH1A1KDM4E | |
| SCHEMBL16166116 | 0.90 | AKR1B1 (0.38) | AKR1B1 | |
| SCHEMBL16166401 | 0.89 | AKR1B1 (0.40) | AKR1B1ALDH1A1IDO1 | |
| SCHEMBL16166247 | 0.89 | AKR1B1 (0.40) | AKR1B1ALDH1A1IDO1 | |
| SCHEMBL16166530 | 0.87 | AKR1B1 (0.36) | IP6K1AKR1B1IDO1 | |
| SCHEMBL16166349 | 0.85 | AKR1B1 (0.40) | IP6K1AKR1B1IDO1 | |
| SCHEMBL16175845 | 0.85 | AKR1B1 (0.40) | IP6K1AKR1B1IDO1 | |
| SCHEMBL16166268 | 0.85 | ADAMTS5 (0.37) | AKR1B1KDM4EPDE9A | |
| SCHEMBL16166745 | 0.83 | ELOVL6 (0.37) | AKR1B1COMT | |
| SCHEMBL16175826 | 0.83 | NPBWR1 (0.44) | AKR1B1ALDH1A1MAPT |
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 |