Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3
The experimentally established mechanism targets of Labetalol. 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 | 9/20 | 0.68 |
| ▸ | ADRB1 known ✓ | P08588 | 8/20 | 0.68 |
| ▸ | ADRA1A known ✓ | P35348 | 7/20 | 0.68 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.68 |
| ▸ | ADRA1B known ✓ | P35368 | 5/20 | 0.68 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.68 |
| ▸ | ADRB3 known ✓ | P13945 | 8/20 | 0.67 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.67 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | HTR1A | P08908 | 2/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Labetalol SCHEMBL9837071 | 0.92 | ADRB2 (0.69) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL8358640 | 0.89 | ADRB1 (0.62) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL888086 | 0.83 | ADRB1 (0.68) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL4667366 | 0.83 | ADRB1 (0.67) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Dilevalol SCHEMBL79468 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL10882744 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL10356800 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL4582 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL41231 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B | |
| Labetalol SCHEMBL7273474 | 0.83 | ADRB1 (1.00) | ADRB2ADRB1ADRA1AADRA1DADRA1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0454773-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | Bundgaard, Hans (DK) | 1991-11-06 | — | — | EP | claimed |
| WO-1990008128-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | BUNDGAARD HANS (DK) | 1990-07-26 | — | — | WO | claimed |