Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.48 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | PASK | Q96RG2 | 1/20 | 0.46 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 4/20 | 0.45 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12647581 | 0.88 | ESR1 (0.53) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL31692491 | 0.88 | ESR1 (0.53) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL6112774 | 0.85 | MAOB (0.52) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL13516010 | 0.80 | MAOB (0.48) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL4410330 | 0.80 | MAOB (0.59) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL1144709 | 0.80 | MAOB (0.56) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL30159516 | 0.80 | MAOB (0.56) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL17309087 | 0.79 | KDM2B (0.45) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL15875020 | 0.78 | AR (0.66) | KDM2BMAOBMAOAACHEESR1 | |
| SCHEMBL30159522 | 0.78 | AR (0.66) | KDM2BMAOBMAOAACHEESR1 |
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 |