Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCND2 | P30279 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19212785 | 0.80 | ALDH1A1 (0.41) | CA1CA2CA9CA12CA7 | |
| SCHEMBL19211604 | 0.80 | MAPT (0.37) | KDM4ECDK4CCND1CCND2CCND3 | |
| SCHEMBL19231461 | 0.78 | ALDH1A1 (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL19211615 | 0.74 | PKM (0.36) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL19211571 | 0.73 | PKM (0.40) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL19212793 | 0.69 | MTNR1A (0.35) | ALDH1A1TSHRKDM4ECDK4CCND1 | |
| SCHEMBL18544236 | 0.68 | KCNH2 (0.40) | CDK4CCND1CCND2CCND3 | |
| SCHEMBL19211574 | 0.67 | CDK4 (0.44) | ALDH1A1TSHRCDK4CCND1CCND2 | |
| SCHEMBL23510555 | 0.67 | CDK4 (0.46) | CDK4CCND1CCND2CCND3 | |
| SCHEMBL11158285 | 0.66 | CA1 (0.67) | CA1CA2CA9CA12CA7 |
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 |