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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 14/20 | 1.00 |
| ▸ | ADRA1A known ✓ | P35348 | 14/20 | 1.00 |
| ▸ | ADRB2 known ✓ | P07550 | 14/20 | 1.00 |
| ▸ | ADRA1D known ✓ | P25100 | 13/20 | 1.00 |
| ▸ | ADRA1B known ✓ | P35368 | 13/20 | 1.00 |
| ▸ | ADRB3 known ✓ | P13945 | 12/20 | 1.00 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 1.00 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 1.00 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.98 |
| ▸ | HTR1A | P08908 | 2/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.98 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.98 |
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 SCHEMBL10450118 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL41230 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL29710409 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Dilevalol SCHEMBL588720 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL10356800 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL4582 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Dilevalol SCHEMBL79468 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL7273474 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL41231 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL10882744 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0460064-A4 | THERAPEUTIC AEROSOL FORMULATIONS | — | 1992-04-01 | — | — | EP | disclosed |
| EP-0460064-A1 | THERAPEUTIC AEROSOL FORMULATIONS | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1991-12-11 | — | — | EP | disclosed |
| WO-1990009781-A1 | THERAPEUTIC AEROSOL FORMULATIONS | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1990-09-07 | — | — | WO | disclosed |