Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 11/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365722 | 0.85 | ADRB2 (0.46) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11367479 | 0.84 | ADRB3 (0.43) | ADRB2ADRB3ADRB1ALDH1A1HTR6 | |
| SCHEMBL11366331 | 0.80 | ADRB2 (0.45) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11367767 | 0.80 | ADRB2 (0.44) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11367795 | 0.77 | ADRB2 (0.39) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11373558 | 0.77 | ADRB2 (0.41) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11374973 | 0.76 | ADRB2 (0.40) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11369111 | 0.75 | SLC6A4 (0.49) | ADRB2ADRB3ADRB1CYP2D6ADRA1A | |
| SCHEMBL11372082 | 0.74 | NR1I2 (0.43) | ADRB2ADRB3ADRB1ALDH1A1HPGD | |
| SCHEMBL11367482 | 0.73 | ADRB3 (0.44) | ADRB2ADRB3ADRB1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4304790-A | 2-(Alkylthio, alkylsulfinyl or alkylsulfonyl)-4-[2-anilinoalkylamino)-1-hydroxyethyl]phenols and derivatives thereof | SCHERING CORPORATION (US) | 1981-12-08 | — | — | US | disclosed |