Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8594694 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL13888624 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL2088330 | 0.79 | HRH3 (0.57) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL19658452 | 0.78 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL17589298 | 0.77 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL17589308 | 0.77 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL9541617 | 0.76 | OPRD1 (0.63) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL14156863 | 0.76 | CXCR4 (0.54) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| Ethyl Acetate SCHEMBL11609811 | 0.76 | SCN1A (0.48) | CYP2D6CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL19718782 | 0.76 | HRH3 (0.60) | CYP2D6SCN1ASCN2ASCN3AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0883613-A1 | SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997029097-A1 | SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-14 | — | — | WO | disclosed |