Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL24389250 | 0.80 | CA1 (0.35) | CYP1A2CYP2D6 | |
| SCHEMBL14339554 | 0.74 | CCR5 (0.35) | CCR5 | |
| SCHEMBL4277731 | 0.73 | CYP1A2 (0.49) | CYP1A2CYP2D6 | |
| SCHEMBL28587801 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP2D6 | |
| SCHEMBL7734590 | 0.73 | CYP1A2 (0.49) | CYP1A2CYP2D6 | |
| SCHEMBL25081707 | 0.72 | SLC6A1 (0.31) | — | |
| SCHEMBL25014005 | 0.71 | CCR5 (0.36) | CCR5 | |
| SCHEMBL8948163 | 0.71 | CCR5 (0.36) | CCR5 | |
| SCHEMBL15632495 | 0.71 | — | — | |
| SCHEMBL9430437 | 0.71 | — | — |
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 |