Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | DRD1 | P21728 | 1/20 | 0.62 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10733244 | 0.80 | ADRA2A (0.71) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL11096858 | 0.79 | HTR1A (0.80) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL13076994 | 0.78 | HTR1A (0.56) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL13077000 | 0.78 | HTR1A (0.56) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL1652319 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL6511962 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL30872868 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL31572112 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL41408 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 | |
| Penbutolol SCHEMBL29483932 | 0.78 | HTR1A (1.00) | HTR1ASLC6A4CYP2D6SLC6A2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0229947-B1 | NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1991-03-13 | — | — | EP | disclosed |
| US-4849530-A | Process for the preparation of crystalline salts or aryloxy-propanolamines | RORER PHARMACEUTICAL CORPORATION (US) | 1989-07-18 | — | — | US | disclosed |
| US-4767784-A | DIPHENYLACETATES | RORER PHARMACEUTICAL CORPORATION | 1988-08-30 | — | — | US | disclosed |
| EP-0229947-A1 | Novel crystalline salts of aryloxy-propanolamines, their preparation and their use | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1987-07-29 | — | — | EP | disclosed |