Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777377 | 0.89 | CYP19A1 (0.64) | CHRM2CHRM1CHRM3SIGMAR1MTNR1A | |
| SCHEMBL8970384 | 0.84 | CHRM2 (0.60) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL9688982 | 0.83 | CHRM2 (0.59) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL19835985 | 0.82 | MTNR1A (0.56) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL12635378 | 0.82 | CHRM2 (0.62) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL12634890 | 0.81 | CHRM2 (0.60) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL12671717 | 0.81 | CHRM2 (0.67) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL472446 | 0.79 | CHRM2 (0.67) | CHRM2CHRM1CHRM3MTNR1AMTNR1B | |
| SCHEMBL8970411 | 0.78 | SIGMAR1 (0.58) | CHRM2CHRM1CHRM3HTR1ASIGMAR1 | |
| SCHEMBL4207562 | 0.78 | CHRM2 (0.66) | CHRM2CHRM1CHRM3MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0717739-B1 | 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses | KNOLL AG (DE) | 2000-03-29 | — | — | EP | disclosed |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |