Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30816134 | 0.89 | RORC (0.45) | RORCALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL24061256 | 0.89 | RORC (0.45) | RORCALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL22278557 | 0.89 | RORC (0.45) | RORCALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL22278727 | 0.89 | RORC (0.45) | RORCALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL22278605 | 0.83 | RORC (0.46) | AKR1C3RORCALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23102328 | 0.77 | RORC (0.45) | RORC | |
| SCHEMBL30816096 | 0.77 | RORC (0.45) | RORC | |
| SCHEMBL23102318 | 0.77 | RORC (0.45) | RORC | |
| SCHEMBL29170646 | 0.76 | RORC (0.50) | AKR1C3RORCALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29170641 | 0.76 | RORC (0.50) | AKR1C3RORCALDH1A1CYP1A2CYP3A4 |
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-3915977-A1 | 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Abbisko Therapeutics Co., Ltd. (CN) | 2021-12-01 | — | — | EP | disclosed |
| WO-2020151232-A1 | 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海和誉生物医药科技有限公司 | 2020-07-30 | — | — | WO | disclosed |