Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 7/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11369111 | 0.90 | SLC6A4 (0.49) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11365722 | 0.87 | ADRB2 (0.46) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11571729 | 0.84 | ADRB2 (0.58) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11367776 | 0.83 | MTNR1A (0.48) | ADRB2SLC6A4SLC6A2MTNR1AMTNR1B | |
| SCHEMBL11373558 | 0.82 | ADRB2 (0.41) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11366331 | 0.82 | ADRB2 (0.45) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11374973 | 0.82 | ADRB2 (0.40) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11367771 | 0.81 | ADRB2 (0.43) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11367795 | 0.81 | ADRB2 (0.39) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A | |
| SCHEMBL11367476 | 0.80 | ADRB2 (0.42) | ADRB2SLC6A4ADRA1ASLC6A2HTR1A |
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 |