Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL16972727 | 0.80 | KCNH2 (0.51) | KCNH2PDE10A | |
| SCHEMBL16984186 | 0.77 | KCNH2 (0.50) | KCNH2BRD4 | |
| SCHEMBL16972674 | 0.76 | KCNH2 (0.47) | KCNH2CDK1GSK3AGSK3B | |
| SCHEMBL16972722 | 0.74 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL16972695 | 0.74 | KCNH2 (0.61) | KCNH2 | |
| SCHEMBL16972688 | 0.74 | KCNH2 (0.47) | KCNH2BRD4 | |
| SCHEMBL16984191 | 0.72 | KCNH2 (0.72) | KCNH2 | |
| SCHEMBL16972673 | 0.72 | KCNH2 (0.66) | KCNH2 | |
| SCHEMBL11736748 | 0.70 | SIRT1 (0.43) | SERPINE1BRD4CCNB2CDK1CCNB1 | |
| SCHEMBL16972721 | 0.65 | TP53 (0.56) | NPC1RAB9AALDH1A1KDM4ECYP1A2 |
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-2015114317-A1 | 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OR 5H-PYRAZOLO[4,3-C]PYRIDIN-3,4-DIONE AS ANTIBACTERIAL COMPOUNDS | REDX PHARMA PLC (GB) | 2015-08-06 | — | — | WO | disclosed |