Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | FABP6 | P51161 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL22123216 | 0.93 | ALDH1A1 (0.44) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL23710158 | 0.83 | ALDH1A1 (0.49) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL17780169 | 0.83 | TP53 (0.41) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL23710137 | 0.80 | ALDH1A1 (0.42) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL12225551 | 0.75 | TP53 (0.46) | ALDH1A1ATMTP53NPSR1L3MBTL1 | |
| SCHEMBL15493077 | 0.75 | ALDH1A1 (0.33) | ALDH1A1ATMTP53 | |
| SCHEMBL13254838 | 0.75 | ALDH1A1 (0.46) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL23710177 | 0.74 | ALDH1A1 (0.46) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL9917296 | 0.74 | ALDH1A1 (0.45) | ALDH1A1ATMTP53OPRL1NPSR1 | |
| SCHEMBL4486230 | 0.73 | ALDH1A1 (0.47) | ALDH1A1ATMTP53OPRL1NPSR1 |
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-113195497-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |