Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 17/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | FPR3 | P25089 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | GPR183 | P32249 | 1/20 | 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 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL20769823 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL521645 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL3699485 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL29929016 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL7295080 | 0.93 | ADRB2 (0.60) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL40757 | 0.93 | ADRB2 (0.60) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL4327619 | 0.91 | ADRB2 (0.59) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Arbutamine SCHEMBL8367936 | 0.88 | ADRB2 (0.57) | ADRB2ADRB1ADRB3DRD2DRD4 | |
| Oxalic Acid SCHEMBL11482348 | 0.86 | SMN1; SMN2 (0.54) | ADRB2ADRB1ADRB3KDM4ESLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873293-B1 | IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES | ABBOTT LAB (US) | 2001-07-25 | — | — | EP | disclosed |
| EP-0873293-A1 | IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES | Abbott Laboratories (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997023439-A1 | IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES | ABBOTT LABORATORIES (US) | 1997-07-03 | — | — | WO | disclosed |