Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.62 |
| ▸ | XDH | P47989 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL29425973 | 0.91 | HSP90AA1 (0.74) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| Picroside I SCHEMBL29362839 | 0.90 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| Picroside I SCHEMBL14361938 | 0.90 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL9057920 | 0.90 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL420022 | 0.83 | HSP90AA1 (0.73) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL422812 | 0.82 | HSP90AA1 (0.63) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL30519385 | 0.80 | HSP90AA1 (0.64) | HSP90AA1XDHPRKCACYP19A1MMP2 | |
| SCHEMBL9056457 | 0.79 | KDM4E (0.59) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL9057747 | 0.79 | KDM4E (0.59) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL419954 | 0.78 | HSP90AA1 (0.60) | 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 |