Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 20/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9684717 | 0.92 | ADRB2 (0.43) | ADRB2TSHRHIF1AHSD17B10ADRB1 | |
| SCHEMBL9684731 | 0.90 | ADRB2 (0.44) | ADRB2CYP3A4MAPK1NPSR1CYP2D6 | |
| SCHEMBL9684785 | 0.90 | ADRB2 (0.44) | ADRB2CYP3A4MAPK1NPSR1CYP2D6 | |
| SCHEMBL9683619 | 0.89 | ALDH1A1 (0.44) | ADRB2CYP2D6TSHRADRB1ADRB3 | |
| SCHEMBL9684696 | 0.89 | ALDH1A1 (0.44) | ADRB2CYP2D6TSHRADRB1ADRB3 | |
| SCHEMBL9683704 | 0.89 | ALDH1A1 (0.44) | ADRB2CYP2D6TSHRADRB1ADRB3 | |
| SCHEMBL9683608 | 0.86 | XBP1 (0.47) | CYP2D6TSHRHSD17B10 | |
| SCHEMBL9684978 | 0.85 | CYP2D6 (0.52) | ADRB2CYP3A4CYP2D6TSHRHIF1A | |
| SCHEMBL9683750 | 0.85 | HTR1A (0.43) | CYP2D6TSHRHTR2AADRA1A | |
| SCHEMBL9683778 | 0.85 | KDM4E (0.45) | ADRB2MAPK1NPSR1CYP2D6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5128369-A | Antiallergens, bronchodilator agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0404197-A2 | Arylalkylamine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-12-27 | — | — | EP | disclosed |