Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.71 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.71 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.71 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 8/20 | 0.43 |
| ▸ | HTR2B | P41595 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10349589 | 0.83 | ADRA2A (0.72) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL11070770 | 0.83 | ADRA2A (0.71) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL10349233 | 0.83 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL10349227 | 0.82 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL11069747 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL11067993 | 0.77 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL10349592 | 0.72 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL3292980 | 0.69 | ADRA2A (0.52) | ADRA2AADRA2BADRA2CHTR2CHTR2B | |
| SCHEMBL14236454 | 0.67 | HTR2C (0.50) | ADRA2AADRA2BADRA2CHTR2CHTR2B | |
| SCHEMBL3440774 | 0.67 | MAOA (0.43) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4469634-A | Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-09-04 | — | — | US | disclosed |
| EP-0103961-A1 | Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-03-28 | — | — | EP | disclosed |