Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 16/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 15/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | CHRM3 | P20309 | 11/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 11/20 | 0.57 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9728128 | 0.87 | CHRM2 (0.72) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9727836 | 0.87 | ALDH1A1 (0.68) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8910689 | 0.87 | CHRM2 (0.95) | CHRM2CHRM1CHRM3CHRM4CHRM5 | |
| SCHEMBL9728077 | 0.87 | CHRM2 (0.77) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9727995 | 0.86 | ALDH1A1 (0.81) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8880500 | 0.86 | ALDH1A1 (0.70) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9728149 | 0.86 | ALDH1A1 (0.69) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8878934 | 0.84 | CHRM2 (0.68) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8880309 | 0.83 | CHRM2 (0.70) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11192698 | 0.82 | ALDH1A1 (0.85) | CHRM2CHRM1ALDH1A1CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5641772-A | Condensed diazepinones, processes for preparing them and agents containing these compounds for treating diseases of the central nervous system and for promoting cerebral blood circulation | DR. KARL THOMAE GMBH (DE) | 1997-06-24 | — | — | US | disclosed |
| US-5610155-A | ALZHEIMER'S | DR. KARL THOMAE GMBH (DE) | 1997-03-11 | — | — | US | disclosed |
| EP-0508370-A1 | Condensed diazepinones, process for their preparation and compositions containing them for the treatment of the central nervous system and to enhance cerebral perfusion | Dr. Karl Thomae GmbH (DE) | 1992-10-14 | — | — | EP | disclosed |