Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL263461 | 0.89 | TDP1 (0.58) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL1784040 | 0.86 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL12394143 | 0.84 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL24990590 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL9476209 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL5081915 | 0.81 | LMNA (0.59) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL28875160 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL16672886 | 0.81 | CYP1A2 (0.48) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| SCHEMBL444728 | 0.80 | CYP2D6 (0.61) | CYP2D6CYP2C19CYP1A2TDP1TSHR | |
| Hydrogen Peroxide SCHEMBL28730771 | 0.80 | CYP2D6 (0.61) | CYP2D6CYP2C19CYP1A2TDP1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0816364-B1 | Reagents for lysergic acid diethylamide immunoassay | HOFFMANN LA ROCHE (CH) | 2004-01-02 | — | — | EP | disclosed |
| US-6476199-B1 | Reagents for lysergic acid diethylamide immunoassay | ROCHE DIAGNOSTICS CORPORATION | 2002-11-05 | — | — | US | disclosed |
| US-6063908-A | STABLE HAPTEN DERIVATIVES THAT ARE USEFUL FOR THE PREPARATION OF ANTIGENS, ANTIBODIES AND REAGENTS USED IN DETECTION OF DRUG ABUSE | ROCHE DIAGNOSTICS CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0816364-A1 | Reagents for lysergic acid diethylamide immunoassay | F. HOFFMANN-LA ROCHE AG (CH) | 1998-01-07 | — | — | EP | disclosed |