Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2248553 | 0.74 | — | — | |
| SCHEMBL2458108 | 0.69 | — | — | |
| SCHEMBL7571559 | 0.69 | CYP3A4 (0.40) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL993153 | 0.68 | — | — | |
| SCHEMBL300105 | 0.68 | — | — | |
| SCHEMBL9627129 | 0.67 | HDAC3 (0.37) | CYP3A4ADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL7211171 | 0.67 | CYP3A4 (0.37) | CYP3A4ADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8522972 | 0.65 | CYP3A4 (0.35) | CYP3A4ADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL3944907 | 0.65 | SMN1; SMN2 (0.42) | CYP3A4ADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL1478430 | 0.64 | ADRA2A (0.43) | CYP3A4ADRA1AADRA1DADRA1BLMNA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2012500821-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2318403-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2011-05-11 | — | — | EP | claimed |
| EP-2220048-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2010-08-25 | — | — | EP | claimed |
| WO-2010023161-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-04 | — | — | WO | claimed |
| WO-2009063061-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | claimed |
| EP-2350068-A2 | UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2011-08-03 | — | — | EP | disclosed |
| EP-2318403-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2011-05-11 | — | — | EP | disclosed |
| EP-2245014-A1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2010-11-03 | — | — | EP | disclosed |
| EP-2220048-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2010046445-A2 | UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010023161-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-04 | — | — | WO | disclosed |
| WO-2009100872-A1 | UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-20 | — | — | WO | disclosed |
| WO-2009063061-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |