Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11373565 | 0.90 | ADRB2 (0.46) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL11374980 | 0.89 | ADRB2 (0.45) | ADRB2ADRB1ADRB3ADORA3DRD1 | |
| SCHEMBL11365731 | 0.89 | ADRB2 (0.48) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL11366337 | 0.88 | ADRB2 (0.47) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL11369119 | 0.87 | ADRB3 (0.44) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL11571998 | 0.82 | ADRB2 (0.45) | ADRB2ADRB1ADRB3KDM4EALDH1A1 | |
| SCHEMBL11367795 | 0.82 | ADRB2 (0.39) | ADRB2ADRB1ADRB3MEN1MAPT | |
| SCHEMBL11367776 | 0.81 | MTNR1A (0.48) | ADRB2ADRB1ADRB3DRD2DRD1 | |
| SCHEMBL11371192 | 0.79 | ADRB2 (0.42) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11367482 | 0.74 | ADRB3 (0.44) | ADRB2ADRB1ADRB3ALDH1A1 |
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 |