Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 17/20 | 0.63 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2748186 | 0.96 | ADRB2 (0.57) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL2748512 | 0.93 | ADRB2 (0.73) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL2827697 | 0.89 | ADRB2 (0.48) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL13823393 | 0.88 | ADRB2 (0.55) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL2827688 | 0.87 | ADRB2 (0.51) | ADRB2ADRB1ADRB3SLC6A4ADRA1A | |
| SCHEMBL2747837 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL2748294 | 0.84 | ADRB2 (0.70) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL2747898 | 0.82 | ADRB2 (0.64) | ADRB2ADRB1ADRB3 | |
| SCHEMBL2747474 | 0.82 | ADRB2 (0.61) | ADRB2ADRB1ADRB3 | |
| SCHEMBL2748190 | 0.82 | ADRB2 (0.53) | ADRB2ADRB1ADRB3SLC6A4ADRA1A |
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-2212276-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR | Almirall, S.A. (ES) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009068177-A1 | DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR | ALMIRALL, S.A. (ES) | 2009-06-04 | — | — | WO | disclosed |