Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 11/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 13/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL11879363 | 0.82 | ADRB2 (0.57) | ADRB2ADRB3ADRB1PMP22CYP1A2 | |
| SCHEMBL11669969 | 0.81 | ADRB2 (0.54) | ADRB2ADRB3ADRB1KDM4E | |
| SCHEMBL11670117 | 0.81 | KDM4E (0.64) | ADRB2ADRB3ADRB1PMP22ADRA1D | |
| SCHEMBL9768105 | 0.81 | ADRB2 (0.59) | ADRB2ADRB3ADRB1PMP22ADRA1D | |
| SCHEMBL11670586 | 0.79 | PMP22 (0.66) | ADRB2ADRB3ADRB1PMP22KDM4E | |
| SCHEMBL11670188 | 0.79 | ADRB3 (0.67) | ADRB2ADRB3ADRB1PMP22ADRA1D | |
| Hydrochloric Acid SCHEMBL11671078 | 0.77 | PMP22 (0.64) | ADRB2ADRB3ADRB1PMP22KDM4E | |
| SCHEMBL11271070 | 0.77 | PMP22 (0.68) | ADRB2ADRB3ADRB1PMP22KDM4E | |
| SCHEMBL4884008 | 0.75 | ADRB3 (0.59) | ADRB2ADRB3ADRB1PMP22CYP1A2 | |
| SCHEMBL11365572 | 0.74 | ADRB3 (0.53) | ADRB2ADRB3ADRB1ADRA1AADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4048229-A | ANTAGONIST ACTIVITY | SMITHKLINE CORPORATION (US) | 1977-09-13 | — | — | US | disclosed |