Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL594098 | 0.73 | ADRB2 (0.44) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL30169480 | 0.73 | ADRB2 (0.44) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL13884383 | 0.72 | ERCC1 (0.43) | ADRB2OPRK1ERCC1ERCC4OPRM1 | |
| SCHEMBL13884351 | 0.71 | SMN1; SMN2 (0.50) | OPRK1CYP1A2CYP2D6TDP1OPRM1 | |
| SCHEMBL13884375 | 0.69 | CYP2C9 (0.38) | OPRK1CYP1A2CYP2D6TSHRHIF1A | |
| SCHEMBL207165 | 0.68 | KDM4E (0.41) | CYP1A2TSHRTDP1KLF10 | |
| Sulfuric Acid SCHEMBL2524101 | 0.68 | PMP22 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Sulfuric Acid SCHEMBL21825446 | 0.68 | PMP22 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL13884377 | 0.67 | HDAC4 (0.45) | OPRK1TSHRABCB1MEN1KMT2A | |
| SCHEMBL4258634 | 0.67 | CYP2D6 (0.47) | ADRB2ADRB1OPRK1CYP1A2CYP2D6 |
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-1991019693-A1 | ESTERS AND CYCLIC DIESTERS OF 4-HYDROXY-1,3-BENZENEDIMETHANOL AND COMPOSITIONS AND METHODS EMPLOYING SUCH COMPOUNDS | SCHERING CORPORATION (US) | 1991-12-26 | — | — | WO | disclosed |