Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11192698 | 0.84 | ALDH1A1 (0.85) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10517893 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10517476 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8881853 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9667262 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9870361 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9871510 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9668503 | 0.78 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9668820 | 0.77 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Telenzepine SCHEMBL49345 | 0.77 | CYP2D6 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |