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 | 13/20 | 1.00 |
| ▸ | ADRA1A known ✓ | P35348 | 13/20 | 1.00 |
| ▸ | ADRB2 known ✓ | P07550 | 13/20 | 1.00 |
| ▸ | ADRA1D known ✓ | P25100 | 12/20 | 1.00 |
| ▸ | ADRA1B known ✓ | P35368 | 12/20 | 1.00 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 1.00 |
| ▸ | ADRB3 known ✓ | P13945 | 11/20 | 0.98 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.98 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 |
| ▸ | HTR1A | P08908 | 2/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 2/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 1/20 | 1.00 |
| ▸ | DRD3 | P35462 | 1/20 | 1.00 |
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 SCHEMBL29687428 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL3499242 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL4582 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL10356800 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL10882744 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL41231 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Dilevalol SCHEMBL79468 | 1.00 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL41230 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL10450118 | 0.99 | ADRB1 (1.00) | ADRB1ADRA1AADRB2ADRA1DADRA1B | |
| Labetalol SCHEMBL9614383 | 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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5001113-A | Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | claimed |
| EP-0389127-A1 | Renin-inhibitory di-, tri-, and tetrapeptides | MERCK & CO. INC. (US) | 1990-09-26 | — | — | EP | claimed |
| EP-0347987-A2 | Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups | MERCK & CO. INC. (US) | 1989-12-27 | — | — | EP | claimed |
| EP-0318889-A2 | Method for treatment of dyslipidemia in humans | SCHERING CORPORATION (US) | 1989-06-07 | — | — | EP | claimed |
| EP-0314239-A2 | Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | claimed |
| EP-0312291-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312283-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| US-4788183-A | Method for treatment of dyslipidemia in humans | SCHERING CORPORATION (US) | 1988-11-29 | — | — | US | claimed |
| US-4782043-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1988-11-01 | — | — | US | claimed |
| EP-0278158-A2 | Renin inhibitors containing phenylalanyl-histidine replacements | MERCK & CO. INC. (US) | 1988-08-17 | — | — | EP | claimed |
| EP-0273696-A2 | Renin inhibitors containing histidine replacements | MERCK & CO. INC. (US) | 1988-07-06 | — | — | EP | claimed |
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | claimed |
| EP-0163237-A2 | Di- and tri-peptidal renin inhibitors | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | claimed |
| EP-0157409-A2 | Renin inhibitors containing 2-substituted statine | MERCK & CO. INC. (US) | 1985-10-09 | — | — | EP | claimed |
| EP-0156318-A2 | C-terminal amide cyclic renin inhibitors containing peptide isosteres | MERCK & CO. INC. (US) | 1985-10-02 | — | — | EP | claimed |
| EP-0156322-A2 | Renin inhibitors containing peptide isosteres | MERCK & CO. INC. (US) | 1985-10-02 | — | — | EP | claimed |
| EP-0009702-B1 | A PHENYLALKYLAMINOETHYLSALICYLAMIDE, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | SCHERING CORPORATION (US) | 1981-11-04 | — | — | EP | claimed |
| EP-0009702-A1 | A phenylalkylaminoethylsalicylamide, its preparation and pharmaceutical compositions containing it | SCHERING CORPORATION (US) | 1980-04-16 | — | — | EP | claimed |