Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31568426 | 0.94 | TSHR (0.62) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL22469788 | 0.94 | TSHR (0.62) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL23314261 | 0.92 | CYP19A1 (0.62) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL18217412 | 0.91 | MAOB (0.52) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL8011823 | 0.87 | CYP3A4 (0.50) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL9804198 | 0.87 | MAOB (0.48) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL7692759 | 0.86 | MAOB (0.47) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL5597378 | 0.84 | MAOB (0.46) | MAOBMAOACYP19A1CYP3A4TSHR | |
| SCHEMBL31469078 | 0.84 | MAOB (0.46) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| SCHEMBL1520696 | 0.84 | IDO1 (0.61) | MAOBMAOACYP3A4IDO1AGXT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114276354-A | 1-aminobenzo [4,5] imidazo [1,2-a ] pyrazine-3-formamide compound and preparation and application thereof | 中山大学 | 2022-04-05 | — | — | CN | claimed |
| CN-114276354-A | 1-aminobenzo [4,5] imidazo [1,2-a ] pyrazine-3-formamide compound and preparation and application thereof | 中山大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-112601735-A | Compound, colored resin composition, color filter and display device | 东友精细化工有限公司 | 2021-04-02 | — | — | CN | disclosed |
| CN-108997147-B | Synthesis and use of N-alkyl amino benzene alkyl ether | 深圳市广昌达石油添加剂有限公司 | 2020-12-22 | — | — | CN | disclosed |
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |