Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20654148 | 0.86 | CYP11B1 (0.63) | CYP11B1CYP11B2TRPA1NPC1PTPRC | |
| SCHEMBL16702215 | 0.78 | CYP11B1 (0.51) | CYP11B1CYP11B2ALOX5APFEN1BACE1 | |
| SCHEMBL13778292 | 0.78 | CYP11B1 (0.51) | CYP11B1CYP11B2TRPA1NPC1PTPRC | |
| SCHEMBL431784 | 0.78 | CYP11B2 (0.51) | CYP11B1CYP11B2TRPA1NPC1PTPRC | |
| SCHEMBL29939240 | 0.78 | CYP11B1 (0.51) | CYP11B1CYP11B2ALOX5APFEN1BACE1 | |
| SCHEMBL5540460 | 0.75 | PTPRC (0.47) | TRPA1NPC1PTPRCPTPN1ALOX5AP | |
| SCHEMBL5471942 | 0.74 | ATM (0.50) | CYP11B1CYP11B2NPC1RAB9AALDH1A1 | |
| SCHEMBL19332089 | 0.74 | ATM (0.50) | CYP11B1CYP11B2TRPA1NPC1PTPRC | |
| SCHEMBL7391983 | 0.74 | PDGFRB (0.51) | CYP11B1CYP11B2PTPRCPTPN1TDP1 | |
| SCHEMBL29066311 | 0.74 | CYP11B1 (0.48) | CYP11B1CYP11B2TRPA1NPC1PTPRC |
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 |
|---|---|---|---|---|---|---|---|
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | claimed |
| EP-1123933-A1 | 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent | MERCK PATENT GmbH (DE) | 2001-08-16 | — | — | EP | disclosed |
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0707007-A1 | Amino(thio)ether derivatives as CNS active agents | MERCK PATENT GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |