Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28589933 | 0.76 | GAA (0.47) | ALDH1A1TDP1TSHRSMN1; SMN2NOS1 | |
| SCHEMBL3593138 | 0.76 | GAA (0.53) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL28587447 | 0.74 | ADRA2A (0.35) | ALDH1A1MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL24186657 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL28205828 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL30473746 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL24130455 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL23763767 | 0.70 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL28910296 | 0.70 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A | |
| SCHEMBL19578647 | 0.69 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRSMN1; SMN2PDE10A |
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-112778280-B | Anthraquinone natural product modified derivative | 中国医学科学院药用植物研究所 | 2022-05-10 | — | — | CN | disclosed |
| CN-112778280-A | Anthraquinone natural product modified derivative | 中国医学科学院药用植物研究所 | 2021-05-11 | — | — | CN | disclosed |