Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 10/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL19250689 | 0.85 | KDM4E (0.46) | — | |
| SCHEMBL19250427 | 0.81 | MTNR1A (0.34) | MCL1PDE5ACA12CA1CA9 | |
| SCHEMBL1238251 | 0.77 | KCNA5 (0.53) | CA12CA9 | |
| SCHEMBL19231464 | 0.77 | BRPF1 (0.45) | MCL1CA12CA9CA2 | |
| SCHEMBL20029763 | 0.75 | HRH3 (0.40) | MCL1 | |
| SCHEMBL19250830 | 0.74 | KDM4E (0.40) | — | |
| SCHEMBL1238189 | 0.73 | KCNA5 (0.54) | CA12CA9 | |
| SCHEMBL14772481 | 0.73 | ITGB3 (0.41) | MCL1ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL17581004 | 0.73 | HDAC1 (0.42) | — | |
| SCHEMBL17580557 | 0.72 | PLK1 (0.43) | — |
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 |