Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CASR | P41180 | 4/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11200218 | 0.89 | HTR2B (0.70) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11751333 | 0.86 | HTR1A (0.65) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11748169 | 0.83 | HTR1A (0.68) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL9655212 | 0.81 | HTR1A (0.70) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11751117 | 0.81 | HTR1A (0.62) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11071495 | 0.81 | MEN1 (0.67) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11803062 | 0.81 | ADRB1 (0.72) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10738067 | 0.81 | ADRB2 (0.78) | HTR1AADRA2AHTR2BADRB2CYP2D6 | |
| SCHEMBL10743558 | 0.81 | CYP1A2 (0.60) | HTR1AADRA2AHTR2BADRB2CYP2D6 | |
| Bunitrolol SCHEMBL34721 | 0.80 | HTR1A (1.00) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4387099-A | Alkanolamine derivatives | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1983-06-07 | — | — | US | disclosed |
| US-4327113-A | DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-04-27 | — | — | US | disclosed |
| US-4260632-A | ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-07 | — | — | US | disclosed |
| US-4221807-A | ADRENERGIC BLOCKING AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-09-09 | — | — | US | disclosed |
| US-4141987-A | HYPOTENSIVE, ADRENERGIC BLOCKING AGENT | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-02-27 | — | — | US | disclosed |