Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6456434 | 0.84 | ADRB2 (0.51) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL4816386 | 0.84 | ADRB3 (0.61) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL14291374 | 0.84 | ADRB2 (0.54) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL7168421 | 0.84 | ADRB3 (0.61) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL13807382 | 0.84 | ADRB2 (0.53) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL13415520 | 0.81 | ADRB2 (0.57) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL278660 | 0.80 | ADRB3 (0.66) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL11671740 | 0.80 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL10000417 | 0.79 | KDM5A (0.51) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL13982146 | 0.79 | KDM5A (0.51) | ADRB2ADRB1ADRB3DRD2PGR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |