Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.74 |
| ▸ | XDH | P47989 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Picroside I SCHEMBL29362839 | 0.93 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| Picroside I SCHEMBL14361938 | 0.93 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425942 | 0.91 | HSP90AA1 (0.62) | HSP90AA1XDHCYP3A4CA12TYR | |
| SCHEMBL30519385 | 0.88 | HSP90AA1 (0.64) | HSP90AA1XDHPRKCACYP19A1LDHA | |
| Specioside SCHEMBL29426185 | 0.85 | HSP90AA1 (1.00) | HSP90AA1XDHCYP3A4CA12CA4 | |
| SCHEMBL9057920 | 0.82 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL420022 | 0.81 | HSP90AA1 (0.73) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425876 | 0.79 | HSP90AA1 (0.84) | HSP90AA1XDHCYP3A4KDM4EGLA | |
| SCHEMBL29425888 | 0.77 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4CA12CA4 | |
| SCHEMBL29425899 | 0.77 | HSP90AA1 (0.64) | HSP90AA1XDHCYP3A4CA12CA4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112946139-B | Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof | 华润三九医药股份有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-117871726-A | Bone clearing powder particle standard reference substance and preparation method and application thereof | 赣江中药创新中心 | 2024-04-12 | — | — | CN | disclosed |
| CN-117343112-A | Preparation method of picrorhiza rhizome multi-component compound | 山东新时代药业有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-112946139-B | Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof | 华润三九医药股份有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-112946139-B | Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof | 华润三九医药股份有限公司 | 2023-03-21 | — | — | 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 |