Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 11/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13181755 | 0.91 | ADRB2 (0.41) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL4013128 | 0.89 | ADRB2 (0.52) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL3367728 | 0.85 | ADRB3 (0.56) | ADRB2ADRB3 | |
| SCHEMBL4015868 | 0.82 | ADRB2 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL4015691 | 0.81 | ADRB2 (0.48) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL3368636 | 0.79 | ADRB3 (0.55) | ADRB2ADRB3 | |
| SCHEMBL4018312 | 0.79 | ADRB2 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL3365509 | 0.78 | ADRB3 (0.60) | ADRB3 | |
| SCHEMBL3366354 | 0.78 | ADRB3 (0.53) | ADRB2ADRB3 | |
| SCHEMBL3368941 | 0.75 | ADRB3 (0.55) | ADRB2ADRB3 |
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-1720546-B1 | NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2010-09-01 | — | — | EP | disclosed |