Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964420 | 0.78 | GRM2 (0.43) | GRM2KDM4EGFERBRD4SMARCA2 | |
| SCHEMBL21157339 | 0.76 | BRD4 (0.48) | GRM2KDM4EGFERBRD4ALDH1A1 | |
| SCHEMBL16871058 | 0.64 | CASR (0.43) | SLC6A2SLC6A4 | |
| SCHEMBL16871397 | 0.64 | CASR (0.43) | SLC6A2SLC6A4 | |
| SCHEMBL2020140 | 0.62 | ABL1 (0.59) | BRD4ALDH1A1TDO2TP53SMN1; SMN2 | |
| SCHEMBL29489425 | 0.61 | CYP3A4 (0.73) | KDM4EBRD4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL196765 | 0.61 | CYP3A4 (0.73) | KDM4EBRD4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4979339 | 0.61 | HTR7 (0.48) | KDM4EGFERBRD4ALDH1A1TDO2 | |
| SCHEMBL19964859 | 0.61 | GFER (0.41) | GRM2KDM4EGFERALDH1A1MAPT | |
| SCHEMBL1483077 | 0.60 | ABL1 (0.53) | BRD4CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |