Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 11/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11873887 | 0.91 | ADRB2 (0.60) | ADRB2CASP3CASP6ADRB3CYP2D6 | |
| SCHEMBL11874205 | 0.89 | ADRB2 (0.54) | ADRB2CASP3CASP6ADRB3CYP2D6 | |
| SCHEMBL10662739 | 0.86 | ADRB3 (0.54) | ADRB2CASP3CASP6ADRB3CYP2D6 | |
| SCHEMBL7143881 | 0.85 | ADRB2 (0.72) | ADRB2CASP3CASP6CYP2D6ADRB1 | |
| SCHEMBL7143882 | 0.85 | ADRB2 (0.72) | ADRB2CASP3CASP6CYP2D6ADRB1 | |
| SCHEMBL13754643 | 0.85 | ADRB2 (0.72) | ADRB2CASP3CASP6CYP2D6ADRB1 | |
| SCHEMBL11670145 | 0.84 | ADRB2 (0.60) | ADRB2CASP3CASP6ADRB3CYP2D6 | |
| SCHEMBL11881488 | 0.83 | ADRB3 (0.64) | ADRB2ADRB3CYP2D6ADRB1ADRA1D | |
| SCHEMBL11807907 | 0.82 | ADRB2 (0.74) | ADRB2CASP3CASP6ADRB3CYP2D6 | |
| SCHEMBL7149088 | 0.82 | ADRB2 (0.74) | ADRB2CASP3CASP6ADRB3CYP2D6 |
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 |