Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2719499 | 0.82 | NQO1 (0.49) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL442274 | 0.78 | KDM4E (0.57) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL442275 | 0.78 | KDM4E (0.57) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL3223495 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL10549379 | 0.77 | NFE2L2 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| Acrylonitrile SCHEMBL10901156 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL10545617 | 0.77 | RELA (0.51) | ALDH1A1KDM4ECYP1A2TRPA1RELA | |
| SCHEMBL10975899 | 0.74 | LTA4H (0.50) | ALDH1A1HPGDTSHRLMNACA1 | |
| SCHEMBL6247331 | 0.74 | KDM4E (0.53) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL6247325 | 0.74 | KDM4E (0.53) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086107-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065914-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) | 1999-12-23 | — | — | WO | disclosed |