Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CYBB | P04839 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7503023 | 0.92 | ELOVL1 (0.42) | CYP11B1CYP11B2GPR84CNR1CNR2 | |
| SCHEMBL7505635 | 0.91 | AR (0.47) | CYP11B1CYP11B2GPR84ROCK1AR | |
| SCHEMBL7509756 | 0.87 | KDM4E (0.40) | CYP11B1CYP11B2GPR84ROCK1AR | |
| SCHEMBL7503828 | 0.87 | TRPA1 (0.43) | GPR84ARKMT2AADORA2AADORA1 | |
| SCHEMBL7500140 | 0.87 | ADORA2A (0.40) | GPR84ARKMT2AADORA2AADORA1 | |
| SCHEMBL7500413 | 0.87 | AR (0.42) | CYP11B1CYP11B2GPR84CNR1CNR2 | |
| SCHEMBL7503010 | 0.87 | ROCK1 (0.40) | CYP11B1CYP11B2GPR84ROCK1AR | |
| SCHEMBL7510348 | 0.87 | KDM4E (0.47) | GPR84ARKMT2AADORA2AADORA1 | |
| SCHEMBL7505236 | 0.86 | HTR2C (0.47) | CYP11B1CYP11B2GPR84CNR1CNR2 | |
| SCHEMBL7507844 | 0.85 | HTR2C (0.44) | GPR84ARADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0326331-B1 | Substituted quinolines and cinnolines | DOW AGROSCIENCES LLC (US) | 2002-04-17 | — | — | EP | disclosed |
| US-5294622-A | Fungicides, insecticides, miticides | DOWELANCO (US) | 1994-03-15 | — | — | US | disclosed |
| US-5114939-A | Amine or ether substitutes compounds of quinoline or cinnoline | DOWELANCO (US) | 1992-05-19 | — | — | US | disclosed |
| EP-0326331-A2 | Substituted quinolines and cinnolines | DowElanco (US) | 1989-08-02 | — | — | EP | disclosed |