Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 5/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 5/20 | 1.00 |
| ▸ | ADRA2C | P18825 | 5/20 | 1.00 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11067993 | 0.99 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL11067121 | 0.87 | ADRA2A (0.76) | ADRA2AADRA2BADRA2CHTR1AS1PR5 | |
| SCHEMBL3294929 | 0.81 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CHTR1A | |
| SCHEMBL11067684 | 0.81 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CHTR1AS1PR5 | |
| SCHEMBL506193 | 0.79 | ADRA2A (0.64) | ADRA2AADRA2BADRA2CHTR1AS1PR5 | |
| SCHEMBL10349233 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CHTR1AADRA1D | |
| SCHEMBL11070770 | 0.78 | ADRA2A (0.71) | ADRA2AADRA2BADRA2CHTR1AADRA1D | |
| SCHEMBL11063447 | 0.78 | ADRA2A (0.71) | ADRA2AADRA2BADRA2CHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL10349227 | 0.77 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CHTR1AADRA1D | |
| SCHEMBL8185860 | 0.76 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CHTR1ADRD2 |
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 | claimed |
| EP-0103961-A1 | Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-03-28 | — | — | EP | claimed |