Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 15/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4647049 | 0.92 | ADRB3 (0.42) | ADRB3ADRB2ADRB1ADRA1A | |
| SCHEMBL4918038 | 0.89 | ADRB3 (0.41) | ADRB3ADRB2ADRB1ALDH1A1PKM | |
| SCHEMBL14185303 | 0.88 | ADRB3 (0.42) | ADRB3ADRB2ADRB1 | |
| SCHEMBL4606960 | 0.88 | ADRB3 (0.45) | ADRB3ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4642656 | 0.85 | ADRB3 (0.40) | ADRB3ADRB2ADRB1 | |
| SCHEMBL4918874 | 0.84 | ADRB3 (0.38) | ADRB3ADRB2ADRB1ADRA1A | |
| SCHEMBL4642663 | 0.84 | ADRB3 (0.37) | ADRB3ALDH1A1PKMTSHRMAPK1 | |
| SCHEMBL4637273 | 0.83 | ADRB3 (0.42) | ADRB3ADRB2ADRB1 | |
| SCHEMBL4639973 | 0.83 | ADRB3 (0.42) | ADRB3ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4639441 | 0.80 | ADRB3 (0.41) | ADRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1943229-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048842-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |