Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 13/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11374978 | 0.91 | ADRB2 (0.37) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11365726 | 0.91 | ADRB2 (0.41) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11367800 | 0.90 | ADRB2 (0.36) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11369116 | 0.89 | SLC6A4 (0.44) | ADRB2ADRB1MAPTTSHRCYP1A2 | |
| SCHEMBL11366335 | 0.85 | ADRB2 (0.39) | ADRB2ADRB1KDM4EHSD17B10TSHR | |
| SCHEMBL11367771 | 0.83 | ADRB2 (0.43) | ADRB2ADRB1TSHRCYP1A2ADRB3 | |
| SCHEMBL11373558 | 0.80 | ADRB2 (0.41) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11365945 | 0.78 | ADRB2 (0.39) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11563949 | 0.78 | ADRB1 (0.61) | ADRB2ADRB1MAPTKDM4EHSD17B10 | |
| SCHEMBL11367479 | 0.77 | ADRB3 (0.43) | ADRB2ADRB1MAPTADRB3ALDH1A1 |
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 |