Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3955675 | 1.00 | TAAR1 (0.53) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9116052 | 0.98 | TAAR1 (0.52) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL21335900 | 0.85 | TAAR1 (0.46) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL270111 | 0.79 | GABRA1 (0.52) | TAAR1SIGMAR1SLC6A4 | |
| SCHEMBL14655629 | 0.78 | TAAR1 (0.55) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL14655628 | 0.78 | TAAR1 (0.55) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL1724429 | 0.77 | SLC6A2 (0.52) | TAAR1SIGMAR1SLC6A4 | |
| SCHEMBL3381155 | 0.76 | TAAR1 (0.53) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL31611864 | 0.76 | CYP2D6 (0.54) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 | |
| SCHEMBL29419577 | 0.76 | TAAR1 (0.53) | TAAR1SLC18A2SIGMAR1CYP2D6CYP2C9 |
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-5976812-A | Activated amphetamines | ROCHE DIAGNOSTICS GMBH (DE) | 1999-11-02 | — | — | US | disclosed |