Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.68 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.68 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258678 | 1.00 | MAPT (0.71) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL10913734 | 0.85 | PTGS1 (0.70) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL11667770 | 0.85 | ADRB2 (0.88) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL11576265 | 0.84 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL8348602 | 0.84 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL7266770 | 0.84 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL29358069 | 0.84 | ADRB2 (0.76) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL5631180 | 0.84 | PTGS1 (0.68) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| Prenalterol SCHEMBL249753 | 0.83 | PTGS1 (1.00) | MAPTPTGS1SLC6A2ADRB2CYP2D6 | |
| SCHEMBL7946116 | 0.83 | PTGS1 (0.77) | MAPTPTGS1SLC6A2ADRB2CYP2D6 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4336382-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4329289-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-05-11 | — | — | US | disclosed |
| EP-0002666-B1 | 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-02-17 | — | — | EP | disclosed |
| US-4314085-A | Intermediates for preparing adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1982-02-02 | — | — | US | disclosed |
| US-4304721-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-12-08 | — | — | US | disclosed |
| US-4301300-A | ADRENERGIC BLOCKING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4285873-A | ANTIANDROGENS | HOFFMANN-LA ROCHE INC. (US) | 1981-08-25 | — | — | US | disclosed |
| US-4281189-A | Sulfonamide intermediates for adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4278608-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-14 | — | — | US | disclosed |
| US-4247710-A | THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4202978-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | disclosed |