Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.62 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | DBH | P09172 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28339921 | 0.81 | CYP3A4 (0.45) | CASP6CDK2TSHRTDP1ERN1 | |
| SCHEMBL28323553 | 0.78 | ALDH1A1 (0.41) | CASP6TDP1ERN1HPRT1ALDH1A1 | |
| SCHEMBL28323555 | 0.78 | CYP2C19 (0.41) | CASP6TSHRTDP1ERN1ALDH1A1 | |
| SCHEMBL27452198 | 0.77 | ALDH1A1 (0.47) | CASP6TDP1ERN1ALDH1A1HPGD | |
| SCHEMBL28322472 | 0.77 | CASP6 (0.43) | CASP6CDK2TSHRTDP1ERN1 | |
| SCHEMBL27661280 | 0.76 | ALDH1A1 (0.61) | TDP1ALDH1A1CYP3A4MAPTHPGD | |
| SCHEMBL27810256 | 0.75 | ALDH1A1 (0.59) | TDP1ERN1ALDH1A1CYP3A4MAPT | |
| SCHEMBL28025152 | 0.75 | ALDH1A1 (0.43) | CASP6TDP1ERN1ALDH1A1HPGD | |
| SCHEMBL27348528 | 0.75 | PTPN22 (0.46) | ERN1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL27304277 | 0.74 | ALDH1A1 (0.53) | TDP1ALDH1A1CYP3A4MAPTHPGD |
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-110317137-A | 9,10- anthraquinone analog compound or its pharmaceutically acceptable salt and its medicinal usage | 复旦大学 | 2019-10-11 | — | — | CN | disclosed |