Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PASK | Q96RG2 | 1/20 | 0.38 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | TCF7 | P36402 | 1/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16972701 | 1.00 | KDM2B (0.43) | KDM2BESR1MAOBMAOAACHE | |
| SCHEMBL14744681 | 0.79 | MAOB (0.40) | MAOBARMAPTHPGD | |
| SCHEMBL14744680 | 0.79 | MAOB (0.40) | MAOBARMAPTHPGD | |
| SCHEMBL14745601 | 0.78 | MEN1 (0.46) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL14745600 | 0.78 | MEN1 (0.46) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL16440986 | 0.77 | DHFR (0.34) | MAPTHPGDRAB9A | |
| SCHEMBL16440982 | 0.77 | PLG (0.43) | MAPTHPGD | |
| SCHEMBL16972713 | 0.77 | KDM2B (0.53) | KDM2BESR1MAOBMAOAACHE | |
| SCHEMBL14745056 | 0.75 | TUBB4A (0.44) | — | |
| SCHEMBL16440973 | 0.75 | TUBB4A (0.44) | — |
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 |