Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 14/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11672834 | 0.82 | ADRB2 (0.50) | ADRB2PMP22ADRB3ADRB1CYP1A2 | |
| SCHEMBL11670753 | 0.82 | ADRB2 (0.67) | ADRB2PMP22ADRB3ADRB1 | |
| SCHEMBL11882040 | 0.82 | ADRB2 (0.62) | ADRB2PMP22ADRB3ADRB1 | |
| Hydrochloric Acid SCHEMBL11670408 | 0.81 | ADRB2 (0.66) | ADRB2PMP22ADRB3ADRB1 | |
| SCHEMBL11881488 | 0.80 | ADRB3 (0.64) | ADRB2PMP22ADRB3ADRB1CYP1A2 | |
| SCHEMBL9768105 | 0.79 | ADRB2 (0.59) | ADRB2PMP22ADRB3ADRB1CYP1A2 | |
| Sulfonterol SCHEMBL156925 | 0.79 | PMP22 (0.73) | ADRB2PMP22ADRB3ADRB1CYP1A2 | |
| Sulfonterol SCHEMBL637600 | 0.78 | PMP22 (0.71) | ADRB2PMP22ADRB3ADRB1CYP1A2 | |
| SCHEMBL5377643 | 0.76 | ADRB2 (0.83) | ADRB2ADRB3ADRB1CYP1A2CYP2D6 | |
| SCHEMBL11846351 | 0.75 | LMNA (0.43) | ADRB2ADRB3ADRB1HIF1A |
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 |