Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.60 |
| ▸ | CASP3 | P42574 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11875004 | 0.91 | ADRB2 (0.58) | ADRB2CASP3CASP6CYP2D6ADRB1 | |
| SCHEMBL11874205 | 0.91 | ADRB2 (0.54) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL10662739 | 0.89 | ADRB3 (0.54) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL11670949 | 0.84 | ADRB2 (0.62) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL11881488 | 0.83 | ADRB3 (0.64) | ADRB2CYP3A4MAPK1CYP2D6TSHR | |
| SCHEMBL11180839 | 0.83 | ADRB2 (0.63) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL2455273 | 0.82 | ADRB2 (0.78) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL29899656 | 0.82 | ADRB2 (0.78) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| Oxalic Acid SCHEMBL11187214 | 0.81 | ADRB2 (0.63) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL11174404 | 0.79 | ADRB2 (0.61) | ADRB2CASP3CASP6CYP3A4MAPK1 |
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-3976694-A | BETA-ADRENERGIC STIMULANT, BRONCHODILATOR | SMITHKLINE CORPORATION (US) | 1976-08-24 | — | — | US | disclosed |
| US-3961076-A | BRONCHODILATORS | SMITHKLINE CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |