Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | MAOA | P21397 | 8/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | EYA3 | Q99504 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13028651 | 0.84 | CYP2C19 (0.51) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL6719113 | 0.80 | MAOA (0.61) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL13978680 | 0.77 | MAOA (0.57) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL29253103 | 0.77 | KDM4E (0.59) | MAOAKDM4EALDH1A1GLACYP3A4 | |
| SCHEMBL28576769 | 0.77 | CYP2C19 (0.46) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL10824491 | 0.77 | DDR2 (0.59) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL4757017 | 0.77 | LMNA (0.61) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| Xanthone SCHEMBL30798764 | 0.77 | MAOA (0.95) | MAOAKDM4EALDH1A1GLACYP3A4 | |
| SCHEMBL11212 | 0.74 | KDM4E (0.68) | CYP2C9MAOAKDM4EALDH1A1GLA | |
| SCHEMBL31217589 | 0.74 | KDM4E (0.53) | CYP2C9MAOAKDM4EALDH1A1GLA |
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-104945389-A | Xanthone cross-color ketone compound as well as preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2015-09-30 | — | — | CN | disclosed |