Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9045936 | 0.86 | TAAR1 (0.53) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL15638016 | 0.86 | TAAR1 (0.57) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL516033 | 0.84 | TAAR1 (0.73) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL18897738 | 0.83 | SLC6A2 (0.59) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL4676258 | 0.83 | TAAR1 (0.64) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL2477835 | 0.82 | SLC6A2 (0.70) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL15637911 | 0.82 | SLC6A2 (0.57) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL15637553 | 0.82 | SLC6A2 (0.57) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL19840415 | 0.81 | TAAR1 (0.56) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL22482651 | 0.79 | TAAR1 (0.54) | TAAR1SLC6A2CYP2D6LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7169907-B2 | Derivatives, immunogens, and antibodies for detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2007-01-30 | — | — | US | disclosed |