Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCND2 | P30279 | 1/20 | 0.44 |
| ▸ | CCND3 | P30281 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LYN | P07948 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19212845 | 0.87 | KDM4E (0.44) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19250689 | 0.82 | KDM4E (0.46) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL18264077 | 0.81 | CASR (0.39) | KDM4EALDH1A1 | |
| SCHEMBL19231457 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL2799244 | 0.80 | MAPT (0.50) | ALDH1A1HTR2AHTR2C | |
| SCHEMBL19212713 | 0.79 | CDK4 (0.46) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL18264075 | 0.78 | CA12 (0.47) | KDM4EALDH1A1FGFR1HPGD | |
| SCHEMBL20710527 | 0.77 | KDM4E (0.48) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19212865 | 0.75 | KDM4E (0.50) | KDM4EALDH1A1MCHR1SRCFGFR1 | |
| SCHEMBL18264056 | 0.74 | CA12 (0.48) | KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3413976-A1 | HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS | Redx Pharma PLC (GB) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017137744-A1 | HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS | REDX PHARMA PLC (GB) | 2017-08-17 | — | — | WO | disclosed |