Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 12/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 12/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119525 | 0.87 | CYP11B2 (0.59) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL768861 | 0.79 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL1119473 | 0.75 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL1119392 | 0.72 | CYP11B2 (0.49) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL768512 | 0.71 | PARP10 (0.54) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL751165 | 0.70 | CYP11B2 (0.49) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL749006 | 0.69 | CYP11B2 (0.54) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL750475 | 0.68 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL768787 | 0.68 | CYP11B2 (0.49) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL768797 | 0.67 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009135651-A1 | 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 | UNIVERSITÄT SAARLANDES (DE) | 2009-11-12 | — | — | WO | disclosed |