Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | OGA | O60502 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL108228 | 0.88 | CYP3A4 (0.54) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL24489511 | 0.85 | CYP3A4 (0.51) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL13754486 | 0.85 | CYP3A4 (0.51) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL16325098 | 0.85 | TAAR1 (0.56) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL1254034 | 0.85 | TAAR1 (0.56) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL3704721 | 0.85 | TAAR1 (0.56) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| Hydrochloric Acid SCHEMBL17476761 | 0.83 | TAAR1 (0.54) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| Hydrochloric Acid SCHEMBL25420079 | 0.83 | TAAR1 (0.54) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL29661781 | 0.83 | TAAR1 (0.51) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL17164365 | 0.83 | TAAR1 (0.51) | TAAR1SLC6A4SLC6A2SLC6A3CYP1A2 |
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-2008016677-A2 | PREPARATION AND UTILITY OF DEUTERATED AMPHETAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-02-07 | — | — | WO | disclosed |