Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11601433 | 0.79 | EPHX2 (0.48) | FAAH | |
| SCHEMBL8117531 | 0.78 | KLK7 (0.47) | NPC1GRM5MEN1KMT2A | |
| SCHEMBL8715142 | 0.75 | SLC1A3 (0.39) | FAAHNPC1GRM5TSHRPREP | |
| SCHEMBL24965972 | 0.75 | TSHR (0.48) | FAAHNPC1TSHR | |
| SCHEMBL476827 | 0.74 | TSHR (0.61) | NPC1GRM5TSHRSLC1A1KMT2A | |
| SCHEMBL8107320 | 0.73 | SIGMAR1 (0.44) | FAAHNPC1MEN1KMT2A | |
| SCHEMBL5238071 | 0.73 | KEAP1 (0.53) | NPC1TSHR | |
| SCHEMBL15862001 | 0.73 | NPC1 (0.50) | NPC1GRM5TSHRKMT2AMAPT | |
| SCHEMBL28568822 | 0.71 | NPC1 (0.52) | NPC1GRM5TSHRCYP2C19MAPT | |
| SCHEMBL8116326 | 0.71 | SIGMAR1 (0.48) | NPC1MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4482730-A | Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-11-13 | — | — | US | disclosed |
| US-4387234-A | Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes | ORTHO PHARMACEUTICAL CORPORATION (US) | 1983-06-07 | — | — | US | disclosed |
| EP-0012622-B1 | 1-TOSLOXY-2,2-ETHYLENEDIOXY-6,10-DIMETHYL UNDECANES AND UNDECENES, PROCESS FOR THE PREPARATION OF 2S*,3R*-3-BENZYLOXY-6,6-ETHYLENE DIOXY-2-METHYL-2-(5'-HYDROXY-4'-METHYLPENTYL)-OXEPANE, AND USE OF THE LATTER FOR THE PREPARATION OF OXEPAN-3-OL DERIVATIVES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1982-12-15 | — | — | EP | disclosed |
| US-4322353-A | Synthesis of dioxabicyclo(3.2.1)octanes and oxepanes | ORTHO PHARMACEUTICAL CORPORATION (US) | 1982-03-30 | — | — | US | disclosed |
| EP-0038696-A2 | Synthesis of dioxabicyclo(3.2.1.)octanes and oxepanes | ORTHO PHARMACEUTICAL CORPORATION (US) | 1981-10-28 | — | — | EP | disclosed |
| US-4256644-A | 3-BENZYLOXY-6,6-ETHYLENEDIOXY-2-METHYL-2-(5-HYDROXY-4 -METHYLPENTYL)OXEPANE MADE BY A MULTISTEP PROCESS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1981-03-17 | — | — | US | disclosed |
| EP-0012622-A2 | 1-Tosloxy-2,2-ethylenedioxy-6,10-dimethyl undecanes and undecenes, process for the preparation of 2S*,3R*-3-benzyloxy-6,6-ethylene dioxy-2-methyl-2-(5'-hydroxy-4'-methylpentyl)-oxepane, and use of the latter for the preparation of oxepan-3-ol derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-06-25 | — | — | EP | disclosed |
| US-4188328-A | Chemical intermediates in the preparation of oxepane compounds | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-02-12 | — | — | US | disclosed |