Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Arbutamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 14/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.54 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | DRD3 | P35462 | 4/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Arbutamine SCHEMBL29390265 | 0.97 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL20769823 | 0.97 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL521645 | 0.97 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL3699485 | 0.97 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL29929016 | 0.97 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL7295080 | 0.96 | ADRB2 (0.60) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL40757 | 0.96 | ADRB2 (0.60) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL7870502 | 0.91 | ADRB2 (0.58) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Hexoprenaline SCHEMBL121449 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Hexoprenaline SCHEMBL32668781 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1ADRB3DRD2DRD3 |
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-2021502-A1 | NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY | Oy Jurilab Ltd (FI) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007128884-A1 | NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY | OY JURILAB LTD (FI) | 2007-11-15 | — | — | WO | disclosed |