Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 17/20 | 0.66 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11451308 | 0.90 | ADRB2 (0.55) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL11139901 | 0.85 | ADRB2 (0.61) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10655920 | 0.83 | ADRB2 (0.59) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9811975 | 0.82 | ADRB2 (0.80) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9811981 | 0.82 | ADRB2 (0.80) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10658719 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1CYP1A2CYP2D6NFKB1 | |
| SCHEMBL10657587 | 0.81 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10661718 | 0.81 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10662533 | 0.81 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9664001 | 0.81 | ADRB2 (0.63) | ADRB2ADRB1CYP1A2CYP2D6TSHR |
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 | disclosed |