Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19964859 | 0.83 | GFER (0.41) | GRM2KDM4EMAPTGFERMEN1 | |
| SCHEMBL21157339 | 0.82 | BRD4 (0.48) | GRM2KDM4EMAPTGFERBRD4 | |
| SCHEMBL19964415 | 0.78 | GRM2 (0.39) | GRM2KDM4EMAPTGFERBRD4 | |
| SCHEMBL2020140 | 0.67 | ABL1 (0.59) | BRD4TDO2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29489425 | 0.66 | CYP3A4 (0.73) | KDM4EBRD4KMT2ACYP1A2CYP3A4 | |
| SCHEMBL196765 | 0.66 | CYP3A4 (0.73) | KDM4EBRD4KMT2ACYP1A2CYP3A4 | |
| SCHEMBL4979339 | 0.66 | HTR7 (0.48) | KDM4EMAPTGFERBRD4TDO2 | |
| SCHEMBL1483077 | 0.65 | ABL1 (0.53) | BRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29628977 | 0.64 | CYP3A4 (0.77) | BRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.64 | CYP3A4 (0.70) | KDM4EBRD4KMT2ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3524602-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2019-08-14 | — | — | EP | disclosed |
| 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 |