Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Betaxolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.98 |
| ▸ | GAA | P10253 | 1/20 | 0.98 |
| ▸ | BLM | P54132 | 1/20 | 0.98 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.98 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.98 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Betaxolol SCHEMBL23530 | 1.00 | ADRB1 (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Levobetaxolol SCHEMBL23532 | 1.00 | ADRB1 (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL4997902 | 1.00 | ADRB1 (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL23531 | 1.00 | ADRB1 (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL42794 | 0.99 | LMNA (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL26664826 | 0.99 | ADRB1 (0.98) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Levobetaxolol SCHEMBL42795 | 0.99 | LMNA (1.00) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL26664823 | 0.99 | ADRB1 (0.98) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Levobetaxolol SCHEMBL1649403 | 0.98 | ADRB1 (0.96) | ADRB1LMNACYP2D6MEN1CYP1A2 | |
| Betaxolol SCHEMBL613385 | 0.98 | ADRB1 (0.96) | ADRB1LMNACYP2D6MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005099699-A1 | COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION | SEPRACOR INC. (US) | 2005-10-27 | — | — | WO | disclosed |