Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 14/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365726 | 0.94 | ADRB2 (0.41) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11373560 | 0.85 | ADRB2 (0.38) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11374978 | 0.83 | ADRB2 (0.37) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11367800 | 0.82 | ADRB2 (0.36) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11369116 | 0.81 | SLC6A4 (0.44) | ADRB2CYP2D6ADRB1ADRA1AALDH1A1 | |
| SCHEMBL11367771 | 0.81 | ADRB2 (0.43) | ADRB2CYP2D6ADRB1ADRA1ACYP1A2 | |
| SCHEMBL11366331 | 0.79 | ADRB2 (0.45) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11367479 | 0.79 | ADRB3 (0.43) | ADRB2ADRB1ALDH1A1ADRB3 | |
| SCHEMBL11562099 | 0.78 | ADRB2 (0.68) | ADRB2CYP2D6ADRB1ADRA2AADRA1D | |
| SCHEMBL11373285 | 0.78 | ADRB2 (0.43) | ADRB2CYP2D6ADRB1ADRA2AADRA1D |
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 |