Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | TTR | P02766 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Xanthone SCHEMBL18138444 | 0.83 | MAOA (0.75) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL29124609 | 0.82 | MAOA (0.67) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL27726954 | 0.81 | MAOA (0.78) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL11245548 | 0.81 | MAOA (0.86) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL28434710 | 0.81 | MAOA (0.95) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL28056882 | 0.80 | MAOA (0.75) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL41161 | 0.79 | MAOA (1.00) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL29358061 | 0.79 | MAOA (1.00) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL29398266 | 0.79 | MAOA (1.00) | MAOAKDM4ECYP3A4ALDH1A1GLA | |
| Xanthone SCHEMBL2354794 | 0.79 | MAOA (1.00) | MAOAKDM4ECYP3A4ALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116953246-A | Method for detecting reaction intermediate by XFEL combined light activated unnatural amino acid | 中国科学院生物物理研究所 | 2023-10-27 | — | — | CN | claimed |
| CN-116953246-A | Method for detecting reaction intermediate by XFEL combined light activated unnatural amino acid | 中国科学院生物物理研究所 | 2023-10-27 | — | — | CN | disclosed |