Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Exaprolol. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.65 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.65 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.65 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.65 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.65 |
| ▸ | ADRB2 known ✓ | P07550 | 10/20 | 0.55 |
| ▸ | ADRB1 known ✓ | P08588 | 10/20 | 0.55 |
| ▸ | ADRB3 known ✓ | P13945 | 3/20 | 0.55 |
| ▸ | SCN1A known ✓ | P35498 | 2/20 | 0.52 |
| ▸ | SCN2A known ✓ | Q99250 | 2/20 | 0.52 |
| ▸ | SCN3A known ✓ | Q9NY46 | 2/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.52 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.65 |
| ▸ | HTR1A | P08908 | 3/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | DRD3 | P35462 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Exaprolol SCHEMBL614255 | 0.94 | CYP1A2 (0.72) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Exaprolol SCHEMBL612844 | 0.93 | CYP1A2 (0.70) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| SCHEMBL30295338 | 0.93 | CYP1A2 (0.73) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Exaprolol SCHEMBL614256 | 0.92 | CYP1A2 (0.69) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Procinolol SCHEMBL1254736 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Penbutolol SCHEMBL41407 | 0.85 | HTR1A (0.89) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Penbutolol SCHEMBL41406 | 0.85 | HTR1A (0.89) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| Penbutolol SCHEMBL41409 | 0.85 | HTR1A (0.89) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| SCHEMBL7298077 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A | |
| SCHEMBL13148951 | 0.82 | HTR1A (0.75) | CYP1A2CYP2D6SLC6A4HTR1AADRA1A |
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-4303637-A | Medication indicated for ocular hypertension | ALZA CORPORATION (US) | 1981-12-01 | — | — | US | disclosed |