Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.36 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 3/20 | 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 | |
|---|---|---|---|---|
| Quinoxaline SCHEMBL7039887 | 1.00 | ALDH1A1 (0.44) | ALDH1A1MAPK1LOXL2PDE10ANCF1 | |
| Quinoxaline SCHEMBL28317567 | 0.89 | TSHR (0.38) | ALDH1A1MAPK1LOXL2PDE10ANCF1 | |
| Quinoxaline SCHEMBL6928518 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoxaline SCHEMBL30320908 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoxaline SCHEMBL29355228 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoxaline SCHEMBL5315 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoline SCHEMBL5567268 | 0.81 | ALDH1A1 (0.74) | ALDH1A1PDE10ATSHRMAPTKDM4E | |
| Quinoxaline SCHEMBL3647158 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoxaline SCHEMBL9171633 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LOXL2PDE10ANCF1HTR1A | |
| Quinoxaline SCHEMBL2359961 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LOXL2PDE10ANCF1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116375730-A | Heterocyclic compound and application thereof | 浙江八亿时空先进材料有限公司 | 2023-07-04 | — | — | CN | disclosed |