Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2137249 | 0.82 | ALDH1A1 (0.45) | ALDH1A1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL1110888 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALOX15HPGDHSD17B10ABCB11 | |
| SCHEMBL14033994 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ALOX15HPGDHSD17B10ABCB11 | |
| SCHEMBL5145030 | 0.78 | AKR1C3 (0.50) | ALDH1A1ALOX15HPGDHSD17B10ABCB11 | |
| SCHEMBL2266910 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALOX15HPGDTDP1POLB | |
| SCHEMBL2266902 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALOX15HPGDTDP1POLB | |
| SCHEMBL31200496 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15HPGDHSD17B10POLB | |
| SCHEMBL3748979 | 0.77 | CES2 (0.48) | ALDH1A1ALOX15HPGDHSD17B10ABCB11 | |
| SCHEMBL910030 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15HPGDHSD17B10POLB | |
| SCHEMBL8318162 | 0.76 | NR4A1 (0.54) | ALDH1A1HPGDCYP1A2CYP3A4POLB |
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 |