Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 9/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4639441 | 0.95 | ADRB3 (0.41) | ADRB3HTR6 | |
| Trifluoroacetic Acid SCHEMBL4638696 | 0.94 | ADRB3 (0.40) | ADRB3HTR6RORCLMNAADRB2 | |
| Trifluoroacetic Acid SCHEMBL4637239 | 0.93 | ADRB3 (0.41) | ADRB3HTR6ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4640483 | 0.93 | ADRB3 (0.41) | ADRB3HTR6ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4639360 | 0.91 | ADRB3 (0.41) | ADRB3HTR6ADRB2ADRB1 | |
| SCHEMBL4639973 | 0.91 | ADRB3 (0.42) | ADRB3HTR6ADRB2ADRB1 | |
| SCHEMBL4637273 | 0.91 | ADRB3 (0.42) | ADRB3HTR6ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4637486 | 0.91 | ADRB3 (0.40) | ADRB3HTR6ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL4638592 | 0.90 | ADRB3 (0.37) | ADRB3HTR6ADRB2ADRB1 | |
| Trifluoroacetic Acid SCHEMBL2948615 | 0.89 | SMN1; SMN2 (0.40) | ADRB3HTR6LMNAADRB2ADRB1 |
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-1943220-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048841-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |