Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Penbutolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 6/20 | 0.60 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.60 |
| ▸ | HTR1A | P08908 | 4/20 | 0.98 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.98 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.98 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.98 |
| ▸ | USP2 | O75604 | 1/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.98 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.98 |
| ▸ | DRD1 | P21728 | 1/20 | 0.98 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.98 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.98 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.98 |
| ▸ | DRD3 | P35462 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Penbutolol SCHEMBL7529895 | 1.00 | HTR1A (0.98) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL31572112 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL49358 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL30872868 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL1652319 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL41408 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL6511962 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| Penbutolol SCHEMBL29483932 | 0.99 | HTR1A (1.00) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| SCHEMBL8891641 | 0.98 | HTR1A (0.98) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A | |
| SCHEMBL9231829 | 0.94 | HTR1A (0.90) | HTR1AADRA2ACYP2D6SLC6A4ADRA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4849530-A | Process for the preparation of crystalline salts or aryloxy-propanolamines | RORER PHARMACEUTICAL CORPORATION (US) | 1989-07-18 | — | — | US | disclosed |