Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 8/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11878392 | 0.99 | ADRB2 (0.50) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL11879641 | 0.85 | SLC6A4 (0.46) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| Sulfonterol SCHEMBL156925 | 0.79 | PMP22 (0.73) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| Sulfonterol SCHEMBL637600 | 0.78 | PMP22 (0.71) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL11875687 | 0.70 | PMP22 (0.71) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL11881488 | 0.69 | ADRB3 (0.64) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11875678 | 0.69 | PMP22 (0.70) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL11284414 | 0.68 | MAPT (0.41) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| Isoetharine SCHEMBL212005 | 0.68 | KDM4E (1.00) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 | |
| Isoetharine SCHEMBL2407556 | 0.68 | KDM4E (1.00) | ADRB2HIF1AKDM4ECYP1A2CYP2D6 |
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 |