Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6873939 | 0.72 | CHRM3 (0.37) | CHRM3CHRM2ESR1CHRM1ALDH1A1 | |
| SCHEMBL4798652 | 0.66 | RGS12 (0.39) | CHRM3CHRM2ESR1KIF11CHRM1 | |
| SCHEMBL9014757 | 0.66 | MAOA (0.40) | CHRM3CHRM2ESR1ALDH1A1 | |
| SCHEMBL15534952 | 0.66 | KIF11 (0.41) | CHRM3CHRM2ESR1KIF11CHRM1 | |
| SCHEMBL31424565 | 0.65 | ERN1 (0.35) | CHRM3CHRM2 | |
| SCHEMBL5164470 | 0.65 | — | — | |
| SCHEMBL12006685 | 0.65 | CNR1 (0.41) | CHRM3ESR1ALDH1A1 | |
| SCHEMBL11905678 | 0.65 | — | — | |
| SCHEMBL14777822 | 0.65 | — | — | |
| SCHEMBL5731973 | 0.65 | CNR1 (0.41) | CHRM3ESR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993022259-A1 | A PROCESS FOR PRODUCING 1,4-BISARYL-BUTANE-1,4-DIONES AND POLY(ARYLENE-BUTANE-1,4-DIONES) | NKT RESEARCH CENTER A/S (DK) | 1993-11-11 | — | — | WO | disclosed |