Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.79 |
| ▸ | XDH | P47989 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Specioside SCHEMBL29426185 | 0.88 | HSP90AA1 (1.00) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| Longifolioside B SCHEMBL29425786 | 0.84 | HSP90AA1 (0.76) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425899 | 0.83 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425888 | 0.83 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425876 | 0.82 | HSP90AA1 (0.84) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| Verminoside SCHEMBL29425838 | 0.80 | HSP90AA1 (1.00) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425878 | 0.80 | HSP90AA1 (0.80) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL30561993 | 0.79 | HSP90AA1 (0.62) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL9056457 | 0.78 | KDM4E (0.59) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL9057747 | 0.78 | KDM4E (0.59) | HSP90AA1XDHCYP3A4KDM4EGLA |
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 |