Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 5/20 | 0.52 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611650 | 0.86 | ADRB3 (0.58) | ADRB3ADRB2ADRB1 | |
| SCHEMBL7638769 | 0.84 | ADRB3 (0.71) | ADRB3ADRB2ADRB1 | |
| SCHEMBL7612145 | 0.79 | ELANE (0.43) | ADRB3ELANEADRB2ADRB1CYP1A2 | |
| SCHEMBL7610557 | 0.76 | ADRB3 (0.74) | ADRB3ADRB2ADRB1ABCB1 | |
| SCHEMBL7610759 | 0.74 | ADRB3 (0.57) | ADRB3ADRB2ADRB1ABCB1 | |
| Hydrochloric Acid SCHEMBL7608362 | 0.73 | ADRB2 (0.50) | ADRB3ADRB2ADRB1 | |
| SCHEMBL14030801 | 0.71 | ADRB2 (0.59) | ADRB3ADRB2ADRB1CYP1A2CYP2D6 | |
| SCHEMBL7610387 | 0.71 | ADRB2 (0.46) | ADRB3ADRB2ADRB1CYP1A2CYP2D6 | |
| SCHEMBL7042590 | 0.71 | ADRB2 (0.56) | ADRB3ADRB2ADRB1CYP1A2CYP2D6 | |
| SCHEMBL11595152 | 0.69 | PTGS1 (0.68) | ADRB3ADRB2ADRB1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |