Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 7/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL3202940 | 0.87 | TACR1 (0.46) | ADRA1ATAAR1HCRTR1HCRTR2TACR1 | |
| SCHEMBL28620798 | 0.84 | ADRA1A (0.49) | ADRA1ATAAR1AOC3HCRTR1HCRTR2 | |
| SCHEMBL31284962 | 0.84 | TAAR1 (0.71) | ADRA1ATAAR1AOC3HCRTR1HCRTR2 | |
| SCHEMBL25308876 | 0.83 | ADRA1A (0.68) | ADRA1ATAAR1AOC3HTR2AHTR2C | |
| SCHEMBL22220774 | 0.82 | HCRTR1 (0.49) | ADRA1ATAAR1HCRTR1HCRTR2TACR1 | |
| SCHEMBL4638450 | 0.81 | GRIN2B (0.46) | ADRA1ATAAR1HCRTR1HCRTR2TACR1 | |
| SCHEMBL15173398 | 0.81 | ADRA1A (0.51) | ADRA1ATAAR1AOC3HCRTR1HCRTR2 | |
| SCHEMBL3205585 | 0.81 | HCRTR1 (0.46) | ADRA1ATAAR1HCRTR1HCRTR2TACR1 | |
| SCHEMBL16892229 | 0.81 | IDO1 (0.51) | ADRA1ATAAR1HCRTR1HCRTR2TACR1 | |
| SCHEMBL27778188 | 0.79 | GPR3 (0.40) | AOC3SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108395396-B | Preparation method of chiral o-amino alcohol intermediate, antagonist and analogue thereof | 复旦大学 | 2021-07-23 | — | — | CN | disclosed |