Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 14/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 11/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
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 | 0.85 | ADRB2 (0.41) | ADRB3ADRB2ADRB1ALDH1A1MAPT | |
| SCHEMBL11367476 | 0.84 | ADRB2 (0.42) | ADRB3ADRB2ADRB1ALDH1A1HTR6 | |
| SCHEMBL11366335 | 0.79 | ADRB2 (0.39) | ADRB3ADRB2ADRB1ALDH1A1 | |
| SCHEMBL11367771 | 0.79 | ADRB2 (0.43) | ADRB3ADRB2ADRB1 | |
| SCHEMBL11373560 | 0.77 | ADRB2 (0.38) | ADRB3ADRB2ADRB1ALDH1A1MAPT | |
| SCHEMBL11367800 | 0.76 | ADRB2 (0.36) | ADRB3ADRB2ADRB1ALDH1A1MAPT | |
| SCHEMBL11374978 | 0.75 | ADRB2 (0.37) | ADRB3ADRB2ADRB1ALDH1A1MAPT | |
| SCHEMBL11372085 | 0.74 | NR1I2 (0.45) | ALDH1A1MAPT | |
| SCHEMBL11369116 | 0.74 | SLC6A4 (0.44) | ADRB3ADRB2ADRB1ALDH1A1MAPT | |
| SCHEMBL11561274 | 0.66 | ADRB2 (0.71) | ADRB3ADRB2ADRB1ALDH1A1MAPT |
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 |