Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL30317420 | 0.79 | MAPK1 (0.52) | MAPK1ALDH1A1ALOX15CYP2C19HIF1A | |
| SCHEMBL3630744 | 0.79 | TDP1 (0.60) | MAPK1ALDH1A1CYP2C19HIF1ATSHR | |
| SCHEMBL36622 | 0.79 | CYP2D6 (0.31) | ALDH1A1TSHRHSD17B10TDP1CYP2D6 | |
| SCHEMBL6398395 | 0.76 | TDP1 (0.52) | MAPK1ALDH1A1CYP2C19HIF1ATSHR | |
| SCHEMBL10693191 | 0.76 | MAPK1 (0.52) | MAPK1ALDH1A1ALOX15CYP2C19HIF1A | |
| SCHEMBL8462449 | 0.76 | — | — | |
| SCHEMBL679012 | 0.75 | — | — | |
| SCHEMBL9842510 | 0.75 | MAPK1 (0.50) | MAPK1ALDH1A1ALOX15CYP2C19HIF1A | |
| SCHEMBL330231 | 0.75 | ELANE (0.30) | — | |
| SCHEMBL6566817 | 0.75 | L3MBTL1 (0.44) | ALDH1A1TSHRTDP1 |
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-2000068192-A2 | PROCESS FOR THE PREPARATION OF (DI)ALKYLPEROXY ESTERS OF (DI)CARBOXYLIC ACIDS | AKZO NOBEL N.V. (NL) | 2000-11-16 | — | — | WO | disclosed |