Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.57 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2421428 | 0.82 | RPS6KA3 (0.57) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL6744647 | 0.80 | RPS6KA3 (0.63) | SLC22A12CYP17A1CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL26462958 | 0.79 | ABL1 (0.50) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL11627241 | 0.79 | MEN1 (0.56) | CYP17A1CYP1A2CYP11B1CYP11B2ABL1 | |
| SCHEMBL30494154 | 0.79 | ABL1 (0.50) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL7396406 | 0.79 | SLC22A12 (0.54) | SLC22A12CYP17A1CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL30494314 | 0.79 | ABL1 (0.50) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL26103090 | 0.79 | CYP11B1 (0.46) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL30494189 | 0.79 | CYP11B1 (0.46) | CYP17A1CYP1A2CYP11B1CYP11B2RPS6KA3 | |
| SCHEMBL27876161 | 0.79 | PDE4B (0.56) | SLC22A12CYP17A1CYP1A2CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1123933-A1 | 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent | MERCK PATENT GmbH (DE) | 2001-08-16 | — | — | EP | disclosed |
| EP-0707007-A1 | Amino(thio)ether derivatives as CNS active agents | MERCK PATENT GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |