Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2516327 | 0.83 | ADRB2 (0.45) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL185697 | 0.81 | ADRB2 (0.58) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL9938462 | 0.81 | ADRB2 (0.58) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL17185976 | 0.75 | ADRB2 (0.46) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL9942423 | 0.75 | ADRB2 (0.46) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL9942356 | 0.74 | ADRB2 (0.43) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL9942398 | 0.74 | ADRB2 (0.36) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL2131341 | 0.74 | ADRB2 (0.36) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL2131348 | 0.74 | ADRB2 (0.36) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL9942349 | 0.73 | ADRB2 (0.38) | ADRB2ADRB1ADRB3DRD2SLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2736886-A1 | SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2014-06-04 | — | — | EP | disclosed |
| EP-2651932-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| EP-2651891-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2013014060-A1 | SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | WO | disclosed |
| WO-2012080456-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080457-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |