Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Dihydrocatalpol SCHEMBL29500389 | 0.78 | HSP90AA1 (0.64) | HSP90AA1XDHTSHR | |
| SCHEMBL9057275 | 0.77 | HSP90AA1 (0.52) | HSP90AA1XDHKDM4EGLACYP3A4 | |
| Picroside I SCHEMBL14361938 | 0.66 | HSP90AA1 (0.64) | HSP90AA1XDHKDM4EGLACYP3A4 | |
| Picroside I SCHEMBL29362839 | 0.66 | HSP90AA1 (0.64) | HSP90AA1XDHKDM4EGLACYP3A4 | |
| SCHEMBL27816729 | 0.64 | CDK1 (0.46) | KDM4E | |
| SCHEMBL27816728 | 0.64 | CDK1 (0.46) | KDM4E | |
| SCHEMBL14705646 | 0.64 | CDK1 (0.46) | KDM4E | |
| SCHEMBL29426080 | 0.63 | HSP90AA1 (0.39) | HSP90AA1 | |
| SCHEMBL24529121 | 0.63 | PTGS1 (0.48) | KDM4E | |
| SCHEMBL2835425 | 0.63 | PTGS1 (0.48) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3409766-B1 | AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS | N ZYME BIOTEC GMBH (DE) | 2022-03-09 | — | — | EP | disclosed |