Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 12/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6539195 | 1.00 | BACE1 (0.54) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL6538935 | 1.00 | BACE1 (0.54) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL7120069 | 0.89 | BACE1 (0.43) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL7120076 | 0.89 | BACE1 (0.43) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL6478726 | 0.83 | BACE1 (0.52) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL6478721 | 0.83 | BACE1 (0.52) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL6539237 | 0.82 | BACE1 (0.52) | BACE1ADRB3ADRB1ADRB2GLA | |
| SCHEMBL6539232 | 0.82 | BACE1 (0.52) | BACE1ADRB3ADRB1ADRB2GLA | |
| SCHEMBL6478747 | 0.81 | BACE1 (0.50) | BACE1ADRB3ADRB1ADRB2CYP2D6 | |
| SCHEMBL6478888 | 0.81 | BACE1 (0.48) | BACE1ADRB3ADRB1ADRB2CYP2D6 |
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-6826033-B2 | BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |
| US-20040037022-A1 | Aminoalcohol derivatives | ASTELLAS PHARMA INC. (JP) | 2004-02-26 | — | — | US | disclosed |