Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL11878403 | 0.85 | ADRB2 (0.51) | PMP22HIF1AADRB2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL11878392 | 0.84 | ADRB2 (0.50) | PMP22HIF1AADRB2KDM4ECYP1A2 | |
| Sulfonterol SCHEMBL156925 | 0.78 | PMP22 (0.73) | PMP22HIF1AADRB2KDM4ECYP1A2 | |
| SCHEMBL11279641 | 0.77 | SLC6A4 (0.59) | SLC6A4PMP22HIF1AADRB2KDM4E | |
| Sulfonterol SCHEMBL637600 | 0.77 | PMP22 (0.71) | PMP22HIF1AADRB2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL11279633 | 0.76 | KDM4E (0.57) | SLC6A4PMP22HIF1AADRB2KDM4E | |
| SCHEMBL11881488 | 0.74 | ADRB3 (0.64) | PMP22HIF1AADRB2KDM4ECYP1A2 | |
| SCHEMBL11874652 | 0.72 | SLC6A4 (0.53) | SLC6A4HIF1AADRB2KDM4ECYP1A2 | |
| SCHEMBL11875188 | 0.71 | SLC6A4 (0.51) | SLC6A4HIF1AADRB2KDM4ECYP1A2 | |
| SCHEMBL11670753 | 0.69 | ADRB2 (0.67) | PMP22ADRB2ADRB1ADRB3 |
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 |