Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8665442 | 0.85 | PRSS1 (0.61) | PRSS1PRSS2PRSS3ALDH1A1ALOX12 | |
| SCHEMBL11827146 | 0.79 | PRSS1 (0.46) | PRSS1PRSS2PRSS3ALDH1A1HPGD | |
| SCHEMBL1029641 | 0.76 | HPGD (0.47) | CYP3A4CYP2C19TSHRALDH1A1CYP1A2 | |
| SCHEMBL31135508 | 0.76 | HPGD (0.47) | CYP3A4CYP2C19TSHRALDH1A1CYP1A2 | |
| SCHEMBL11816515 | 0.74 | PRSS1 (0.49) | PRSS1PRSS2PRSS3CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL10333053 | 0.74 | MAOA (0.47) | CYP3A4CYP2C19TSHRALDH1A1CYP1A2 | |
| Fluoride SCHEMBL27823341 | 0.74 | HPGD (0.45) | CYP3A4CYP2C19TSHRALDH1A1CYP1A2 | |
| Thiobenzoic Acid SCHEMBL7714480 | 0.74 | TSHR (0.50) | CYP3A4CYP2C19TSHRCYP2D6ALDH1A1 | |
| Thiobenzoic Acid SCHEMBL29034437 | 0.72 | MEN1 (0.41) | CYP3A4CYP2C19KCNK3KCNK9ALDH1A1 | |
| SCHEMBL7896302 | 0.72 | PRSS1 (0.68) | PRSS1PRSS2PRSS3IDH1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105859742-B | The preparation and its application of novel hydroxyl dihydroartemisinine sulfur-bearing ester derivative | 中国药科大学 | 2018-07-10 | — | — | CN | disclosed |