Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27347771 | 0.84 | IDO1 (0.33) | ALDH1A1 | |
| SCHEMBL28074379 | 0.81 | NFE2L2 (0.41) | NOTUMACHERAB9ANFE2L2SMN1; SMN2 | |
| SCHEMBL973070 | 0.81 | — | — | |
| SCHEMBL4303682 | 0.81 | — | — | |
| Fluoromethane SCHEMBL27523043 | 0.78 | — | — | |
| SCHEMBL23039656 | 0.78 | — | — | |
| Bromide SCHEMBL6151546 | 0.78 | — | — | |
| SCHEMBL5305550 | 0.78 | — | — | |
| Iodide SCHEMBL8817348 | 0.78 | — | — | |
| SCHEMBL1890782 | 0.78 | — | — |
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-104370930-B | C H/C H oxidative coupling reaction based on rhodium catalysis efficiently prepares double hetero-aromatic ring the method for pyranone/cyclopentanone derivatives | 四川大学 | 2016-08-17 | — | — | CN | disclosed |