Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | RPS6KB2 | Q9UBS0 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4170768 | 0.78 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL29675365 | 0.78 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL30497068 | 0.77 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL28931076 | 0.77 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL28549409 | 0.77 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL10670524 | 0.77 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL4974064 | 0.77 | RPS6KB2 (0.53) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL3831303 | 0.77 | TRPV1 (0.44) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL15624391 | 0.76 | TDP1 (0.44) | CYP3A4KDM4EMAPTMEN1KMT2A | |
| SCHEMBL2455860 | 0.76 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP2C9CYP2E1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002000623-A2 | ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES | NEUROGEN CORPORATION (US) | 2002-01-03 | — | — | WO | claimed |
| WO-2002000623-A2 | ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES | NEUROGEN CORPORATION (US) | 2002-01-03 | — | — | WO | disclosed |