Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL506193 | 0.81 | ADRA2A (0.64) | ADRA2AADRA2BADRA2CS1PR5HTR1A | |
| SCHEMBL11069747 | 0.81 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CS1PR5HTR1A | |
| Hydrochloric Acid SCHEMBL11067993 | 0.80 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CS1PR5HTR1A | |
| SCHEMBL22319939 | 0.80 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CHTTS1PR5 | |
| SCHEMBL25384054 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CHTR1A | |
| SCHEMBL30678905 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CHTR1A | |
| SCHEMBL11069870 | 0.77 | GAA (0.55) | LMNAALDH1A1SMN1; SMN2HRH1KDM4E | |
| Hydrochloric Acid SCHEMBL11067121 | 0.77 | ADRA2A (0.76) | ADRA2AADRA2BADRA2CS1PR5HTR1A | |
| SCHEMBL1294703 | 0.76 | ADRA2A (0.56) | ADRA2AADRA2BADRA2CHTTLMNA | |
| SCHEMBL1295044 | 0.75 | ALDH1A1 (0.64) | LMNAALDH1A1MEN1KMT2AL3MBTL1 |
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 |