Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.76 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.76 |
| ▸ | MAOA | P21397 | 1/20 | 0.76 |
| ▸ | HTR2B | P41595 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10666922 | 0.94 | HTR1A (0.68) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL34721 | 0.86 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL34720 | 0.86 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL29354749 | 0.86 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6506350 | 0.86 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11870445 | 0.85 | MAPT (0.78) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142695 | 0.85 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6061096 | 0.85 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142696 | 0.85 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10593610 | 0.84 | HTR1A (0.73) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4010158-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1977-03-01 | — | — | US | claimed |
| US-4728666-A | Heteroaromatic acetylenes useful as antihypertensive agents | MCNEILAB, INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0226447-A2 | Heteroaromatic acetylenes useful as antihypertensive agents | McNeilab, Inc. (US) | 1987-06-24 | — | — | EP | disclosed |
| US-4663334-A | Heteroaromatic acetylenes useful as antihypertensive agents | MCNEILAB, INC. (US) | 1987-05-05 | — | — | US | disclosed |
| US-4010158-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1977-03-01 | — | — | US | disclosed |
| US-3937834-A | ALPHA-RECEPTOR BLOCKER, BETA-RECEPTOR BLOCKER, HIGH BLOOD PRESSURE, ANGINA PECTORIS | CIBA-GEIGY CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |