Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.58 |
| ▸ | CASP1 | P29466 | 3/20 | 0.56 |
| ▸ | CASP7 | P55210 | 3/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | GLA | P06280 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10285242 | 0.83 | GRIN2B (0.57) | ALDH1A1HSD17B10KDM4ENPSR1CYP1A2 | |
| SCHEMBL10285609 | 0.83 | CYP1A2 (0.52) | ALDH1A1HSD17B10KDM4ENPSR1CYP1A2 | |
| SCHEMBL28672957 | 0.81 | KDM4E (0.92) | ALDH1A1HSD17B10KDM4ENPSR1MAPK1 | |
| SCHEMBL30644926 | 0.81 | KDM4E (0.92) | ALDH1A1HSD17B10KDM4ENPSR1MAPK1 | |
| SCHEMBL2795578 | 0.81 | KDM4E (0.64) | ALDH1A1HSD17B10KDM4ENPSR1MAPK1 | |
| SCHEMBL30049995 | 0.80 | KDM4E (0.86) | ALDH1A1HSD17B10KDM4ENPSR1MAPK1 | |
| SCHEMBL28600041 | 0.80 | KDM4E (0.86) | ALDH1A1HSD17B10KDM4ENPSR1MAPK1 | |
| SCHEMBL31448489 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4ENPSR1TSHR | |
| SCHEMBL3733050 | 0.77 | TSHR (0.52) | ALDH1A1HSD17B10KDM4ENPSR1CYP1A2 | |
| SCHEMBL1050766 | 0.77 | TSHR (0.57) | ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4 |
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-118047727-A | Method for preparing quinoxaline-2, 3-diketone compound by virtue of regioselective photocatalytic oxidation | 浙江工业大学台州研究院 | 2024-05-17 | — | — | CN | disclosed |
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |