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 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | 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 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | LYN | P07948 | 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 | |
|---|---|---|---|---|
| SCHEMBL19250392 | 0.85 | MCL1 (0.40) | — | |
| SCHEMBL19231457 | 0.83 | KDM4E (0.51) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19212805 | 0.82 | KDM4E (0.46) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19212713 | 0.79 | CDK4 (0.46) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19250427 | 0.78 | MTNR1A (0.34) | KDM4ECDK4CCND1CCND2CCND3 | |
| SCHEMBL20710527 | 0.77 | KDM4E (0.48) | KDM4EALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL19231464 | 0.74 | BRPF1 (0.45) | FGFR1HRH3MAPK14 | |
| SCHEMBL13354919 | 0.72 | BRPF1 (0.53) | KDM4EALDH1A1KEAP1NFE2L2MCHR1 | |
| SCHEMBL19250830 | 0.71 | KDM4E (0.40) | KDM4EALDH1A1HPGDHRH3 | |
| SCHEMBL19212845 | 0.71 | KDM4E (0.44) | KDM4EALDH1A1CDK4CCND1CCND2 |
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-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 |