Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.70 |
| ▸ | XDH | P47989 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PRKCA | P17252 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29733539 | 0.96 | HSP90AA1 (0.70) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL19004036 | 0.96 | HSP90AA1 (0.70) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL419313 | 0.95 | HSP90AA1 (0.71) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425878 | 0.94 | HSP90AA1 (0.80) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29426089 | 0.93 | HSP90AA1 (0.73) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL419954 | 0.93 | HSP90AA1 (0.60) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL23685612 | 0.91 | HSP90AA1 (0.65) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29426068 | 0.90 | HSP90AA1 (0.70) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425876 | 0.86 | HSP90AA1 (0.84) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL423457 | 0.86 | HSP90AA1 (0.74) | HSP90AA1XDHCYP3A4ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109734759-B | Catalpol derivative and application thereof | 上海中医药大学 | 2022-05-10 | — | — | CN | disclosed |
| EP-3409766-B1 | AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS | N ZYME BIOTEC GMBH (DE) | 2022-03-09 | — | — | EP | disclosed |