Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | PIM1 | P11309 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.42 |
| ▸ | GSK3A | P49840 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744643 | 0.80 | RPS6KA3 (0.56) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL7396409 | 0.79 | SLC22A12 (0.57) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL963763 | 0.76 | TAAR1 (0.44) | GSK3BPIM1CDK2PRKACAIRAK4 | |
| SCHEMBL1770133 | 0.76 | CYP11B2 (0.51) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL27876161 | 0.76 | PDE4B (0.56) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL27952801 | 0.74 | RPS6KA3 (0.51) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL6744647 | 0.73 | RPS6KA3 (0.63) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL20371450 | 0.72 | SLC22A12 (0.53) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL20365105 | 0.72 | SLC22A12 (0.50) | SLC22A12CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL8225016 | 0.72 | CYP2A6 (0.62) | CYP17A1CYP3A4CYP11B1CYP11B2IDO1 |
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 |