Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 17/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11468432 | 0.91 | ADRB2 (0.57) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11451001 | 0.90 | ADRB2 (0.66) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| SCHEMBL11369787 | 0.83 | ADRB2 (0.52) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| SCHEMBL10662466 | 0.83 | ADRB2 (0.58) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| SCHEMBL10661301 | 0.82 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9763132 | 0.78 | ADRB2 (0.70) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| SCHEMBL4122824 | 0.77 | ADRB2 (0.71) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL15677514 | 0.76 | ADRB2 (0.73) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL5114266 | 0.75 | CA12 (0.70) | CYP1A2 | |
| SCHEMBL11139901 | 0.75 | ADRB2 (0.61) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0006735-A1 | Secondary amines, their preparation, pharmaceutical compositions containing them and their use | BEECHAM GROUP PLC (GB) | 1980-01-09 | — | — | EP | claimed |