Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10551178 | 1.00 | ADRB2 (0.67) | ADRB2ADRB1ADRB3CYP2D6HTT | |
| SCHEMBL10725660 | 0.82 | ADRB2 (0.60) | ADRB2ADRB1ADRB3CYP2D6MAPT | |
| SCHEMBL10790889 | 0.82 | CYP2D6 (0.74) | ADRB2ADRB1ADRB3CYP2D6HTT | |
| SCHEMBL22640159 | 0.82 | CYP2D6 (0.74) | ADRB2ADRB1ADRB3CYP2D6HTT | |
| SCHEMBL22639907 | 0.82 | CYP2D6 (0.74) | ADRB2ADRB1ADRB3CYP2D6HTT | |
| SCHEMBL5317103 | 0.81 | PTGS1 (0.68) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| SCHEMBL31126368 | 0.81 | PTGS1 (0.68) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| SCHEMBL10694902 | 0.81 | ALDH1A1 (0.62) | HTTKMT2AMAPT | |
| SCHEMBL11722939 | 0.81 | CYP2D6 (0.56) | ADRB2ADRB1ADRB3CYP2D6HTT | |
| SCHEMBL11722934 | 0.81 | CYP2D6 (0.56) | ADRB2ADRB1ADRB3CYP2D6HTT |
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-4853383-A | β-blocking substituted imidazoles | MERCK & CO., INC. (US) | 1989-08-01 | — | — | US | disclosed |
| US-4642311-A | β-adrenergic blocking imidazolylphenoxy propanolamines | MERCK & CO., INC. (US) | 1987-02-10 | — | — | US | disclosed |
| US-4567276-A | HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1986-01-28 | — | — | US | disclosed |
| US-4440774-A | ANTIHYPERTENSIVE AGENTS AND B-ANDRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4199580-A | HYPOTENSIVE AGENTS AND ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1980-04-22 | — | — | US | disclosed |
| US-4134983-A | HYPOTENSIVE, ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1979-01-16 | — | — | US | disclosed |