Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.47 |
| ▸ | PPOX | P50336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10451194 | 0.81 | POLB (0.57) | S100A4PPOXALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL4725575 | 0.80 | CASP3 (0.56) | S100A4ALDH1A1ALDH2MEN1KMT2A | |
| SCHEMBL6957475 | 0.79 | CA9 (0.46) | ALDH1A1KDM4EAPAF1CA9MEN1 | |
| SCHEMBL5878681 | 0.78 | KDM4E (0.69) | S100A4ALDH1A1KDM4ENPC1CA9 | |
| SCHEMBL10779928 | 0.78 | KDM4E (0.46) | S100A4ALDH1A1KDM4ENPC1MEN1 | |
| SCHEMBL1704408 | 0.78 | S100A4 (0.52) | S100A4PPOXALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL6955085 | 0.77 | CASP1 (0.55) | S100A4ALDH1A1KDM4ENPC1APAF1 | |
| SCHEMBL6957181 | 0.77 | PARK7 (0.45) | KDM4ENPC1CA9 | |
| SCHEMBL522502 | 0.77 | TDP1 (0.64) | ALDH1A1KDM4ECA9MEN1HPGD | |
| SCHEMBL4473721 | 0.77 | ALDH1A1 (0.51) | S100A4ALDH1A1KDM4ENPC1MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1095043-A1 | TRIOXANE DERIVATIVES | The Hong Kong University of Science & Technology (HK) | 2001-05-02 | — | — | EP | claimed |
| WO-2000004026-A1 | TRIOXANE DERIVATIVES | THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) | 2000-01-27 | — | — | WO | claimed |
| EP-0974354-A1 | Artemisinin derivatives | The Hong Kong University of Science & Technology (HK) | 2000-01-26 | — | — | EP | claimed |
| US-6649647-B1 | Trioxane derivatives | HAYNES RICHARD (CN) | 2003-11-18 | — | — | US | disclosed |
| EP-1095043-A1 | TRIOXANE DERIVATIVES | The Hong Kong University of Science & Technology (HK) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000004026-A1 | TRIOXANE DERIVATIVES | THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) | 2000-01-27 | — | — | WO | disclosed |
| EP-0974354-A1 | Artemisinin derivatives | The Hong Kong University of Science & Technology (HK) | 2000-01-26 | — | — | EP | disclosed |