Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2682423 | 0.76 | TSHR (0.39) | ATMDRD2DRD4OPRM1DRD3 | |
| SCHEMBL2066381 | 0.76 | ATM (0.55) | ATMDRD2DRD4OPRM1DRD3 | |
| SCHEMBL5012067 | 0.74 | TSHR (0.52) | CYP2C19CYP1A2CYP2C9ALDH1A1MEN1 | |
| SCHEMBL25148807 | 0.73 | ALDH1A1 (0.43) | CYP2C19CHRM3ALDH1A1CHRM2MEN1 | |
| SCHEMBL7269790 | 0.70 | ALDH1A1 (0.48) | CYP2C19CYP1A2CYP2C9CHRM3ALDH1A1 | |
| SCHEMBL5596297 | 0.67 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9ALDH1A1HIF1A | |
| SCHEMBL913404 | 0.66 | KIF11 (0.46) | CYP2C19CYP1A2CYP2C9ALDH1A1HIF1A | |
| SCHEMBL561220 | 0.66 | CHRM2 (0.46) | CYP2C19CYP1A2CYP2C9CHRM3ALDH1A1 | |
| SCHEMBL2672155 | 0.66 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9ALDH1A1HIF1A | |
| SCHEMBL11503349 | 0.65 | KCNN4 (0.42) | CYP2D6CYP2C19CYP1A2ALDH1A1MEN1 |
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 |