Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 2/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10451642 | 1.00 | BCHE (0.71) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL11816814 | 0.91 | BCHE (0.67) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL11815017 | 0.90 | OPRK1 (0.77) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL11535612 | 0.90 | BCHE (0.65) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL11824647 | 0.87 | BCHE (0.74) | BCHESIGMAR1ATMGAAKMT2A | |
| SCHEMBL28983267 | 0.86 | BCHE (0.60) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL172531 | 0.84 | SIGMAR1 (0.66) | BCHESIGMAR1ATMOPRK1GAA | |
| SCHEMBL13911191 | 0.84 | SIGMAR1 (0.66) | BCHESIGMAR1OPRK1KMT2AALDH1A1 | |
| SCHEMBL19498803 | 0.84 | OPRK1 (0.81) | BCHESIGMAR1OPRK1KMT2AALDH1A1 | |
| SCHEMBL14198232 | 0.84 | SIGMAR1 (0.66) | BCHESIGMAR1OPRK1KMT2AALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756659-A | Preparation method of labetalol hydrochloride | 重庆圣华曦药业股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| US-4450115-A | ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1984-05-22 | — | — | US | disclosed |
| US-4381398-A | Amino-alcohol derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1983-04-26 | — | — | US | disclosed |
| US-4217305-A | HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1980-08-12 | — | — | US | disclosed |
| US-4140713-A | Phenylethanolamine therapeutic agents | ALLEN & HANBURYS LIMITED (GB) | 1979-02-20 | — | — | US | disclosed |
| US-3943254-A | ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |