Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | GAPDH | P04406 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8948267 | 1.00 | ACHE (0.42) | ACHEBACE1CA2CA1MAPK1 | |
| SCHEMBL8948047 | 0.94 | CA1 (0.44) | CA1ACE2TRPA1DDAH1GAPDH | |
| SCHEMBL8948043 | 0.94 | CA1 (0.44) | CA1ACE2TRPA1DDAH1GAPDH | |
| SCHEMBL8948016 | 0.92 | ACE2 (0.43) | CA2CA1ACE2MAPT | |
| SCHEMBL8948019 | 0.92 | ACE2 (0.43) | CA2CA1ACE2MAPT | |
| SCHEMBL5666704 | 0.87 | CHRM1 (0.36) | ACHEBACE1CA1TSHRFDPS | |
| SCHEMBL814572 | 0.87 | CHRM1 (0.36) | ACHEBACE1CA1TSHRFDPS | |
| SCHEMBL809574 | 0.87 | CHRM1 (0.36) | ACHEBACE1CA1TSHRFDPS | |
| SCHEMBL13604755 | 0.85 | ACHE (0.38) | ACHEBACE1CA2CA1MAPK1 | |
| SCHEMBL8965248 | 0.83 | ACHE (0.55) | ACHEBACE1CA2CA1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5484949-A | Method for the synthesis of α β-unsaturated ketones | NIPPON SODA CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0454867-A1 | A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. | NIPPON SODA CO (JP) | 1991-11-06 | — | — | EP | disclosed |
| WO-1991007370-A1 | A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES | NIPPON SODA CO., LTD. (JP) | 1991-05-30 | — | — | WO | disclosed |