Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21624387 | 1.00 | PDE7A (0.39) | PDE7AALDH1A1NPSR1MAPTUSP2 | |
| SCHEMBL30668482 | 0.81 | ALDH1A1 (0.31) | ALDH1A1MAPTPOLB | |
| SCHEMBL21624357 | 0.81 | ALDH1A1 (0.31) | ALDH1A1MAPTPOLB | |
| SCHEMBL21624396 | 0.81 | PDE7A (0.45) | PDE7AALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL30668474 | 0.81 | PDE7A (0.45) | PDE7AALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL23647746 | 0.79 | ALDH1A1 (0.31) | ALDH1A1MAPTHPGDPOLBKDM4E | |
| SCHEMBL30006272 | 0.79 | ALDH1A1 (0.31) | ALDH1A1MAPTHPGDPOLBKDM4E | |
| SCHEMBL21624367 | 0.78 | CES1 (0.39) | PDE7A | |
| SCHEMBL30668478 | 0.78 | CES1 (0.39) | PDE7A | |
| SCHEMBL23658650 | 0.77 | ALDH1A1 (0.31) | ALDH1A1MAPTPOLB |
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-112771046-B | Other substituted triazoloquinoxaline derivatives | 格吕伦塔尔有限公司 | 2023-09-19 | — | — | CN | disclosed |