Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ELANE | P08246 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16226679 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL16227196 | 0.77 | CYP1A2 (0.74) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL31536856 | 0.77 | PSMB8 (0.42) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL9878243 | 0.75 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL6905135 | 0.75 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL27921217 | 0.74 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL2137144 | 0.73 | PSMB8 (0.42) | ALDH1A1CYP3A4ELANEKDM4EGLA | |
| SCHEMBL16227270 | 0.72 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL16226869 | 0.71 | ALDH1A1 (0.80) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL5822130 | 0.70 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E |
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-113005158-A | Preparation method and application of azaanthraquinone alkaloid | 青海民族大学 | 2021-06-22 | — | — | CN | disclosed |
| CN-113005158-A | Preparation method and application of azaanthraquinone alkaloid | 青海民族大学 | 2021-06-22 | — | — | CN | disclosed |