Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.34 |
| ▸ | BRD4 | O60885 | 9/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bilr 355 SCHEMBL5080040 | 0.93 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| Bilr 355 SCHEMBL29399723 | 0.93 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| Bilr 355 SCHEMBL29369593 | 0.93 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| Bilr 355 SCHEMBL5247366 | 0.93 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| SCHEMBL5744506 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| SCHEMBL14383887 | 0.88 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2PDE10A | |
| SCHEMBL5745210 | 0.84 | CYP2C9 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5768478 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5743230 | 0.83 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5747266 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1938306-A | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8- { 2- { (1-oxo-4-quinolinyl) oxy } ethyl } -6H-bipyrido [3, 2-b: 2 ', 3' -e ] [1,4] diaza * -6-one | BOEHRINGER INGELHEIM INT (DE) | 2007-03-28 | — | — | CN | disclosed |
| EP-1740586-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | Boehringer Ingelheim International GmbH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005097796-A3 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INT (DE) | 2006-01-05 | — | — | WO | disclosed |
| WO-2005097796-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2005-10-20 | — | — | WO | disclosed |