Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.53 |
| ▸ | CASR | P41180 | 7/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11747215 | 0.84 | HTR1A (0.79) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Hydrochloric Acid SCHEMBL11794318 | 0.83 | ADRB1 (0.51) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11748914 | 0.83 | SLC2A1 (0.58) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL12215557 | 0.82 | SLC2A1 (0.57) | CASRADRB2ADRB3MEN1KMT2A | |
| SCHEMBL22639837 | 0.82 | PKM (0.52) | CYP2D6ADRB2MEN1KMT2AL3MBTL1 | |
| SCHEMBL22639913 | 0.82 | PKM (0.52) | CYP2D6ADRB2MEN1KMT2AL3MBTL1 | |
| SCHEMBL10893347 | 0.80 | HTR1A (0.46) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11751077 | 0.80 | HTR1A (0.48) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10895740 | 0.80 | HTR1A (0.45) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11111388 | 0.79 | HTR1A (0.45) | HTR1AADRA2AADRA2BMAOAHTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025646-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVES | BOEHRINGER INGELHEIM GMBH (DT) | 1977-05-24 | — | — | US | claimed |
| US-3959338-A | BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH | 1976-05-25 | — | — | US | claimed |
| US-4025646-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVES | BOEHRINGER INGELHEIM GMBH (DT) | 1977-05-24 | — | — | US | disclosed |
| US-3959338-A | BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH | 1976-05-25 | — | — | US | disclosed |