Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | GOT1 | P17174 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21302005 | 0.88 | TP53 (0.39) | ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL30516347 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HTR1ACETPHTR6 | |
| SCHEMBL21291583 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HTR1ACETPHTR6 | |
| SCHEMBL21291606 | 0.84 | HTR6 (0.41) | ALDH1A1HTR1ASIGMAR1THRBHTR6 | |
| SCHEMBL30516342 | 0.84 | HTR6 (0.41) | ALDH1A1HTR1ASIGMAR1THRBHTR6 | |
| SCHEMBL28502343 | 0.83 | CCR2 (0.38) | ALDH1A1CCR2SIGMAR1 | |
| SCHEMBL30516380 | 0.83 | PLA2G1B (0.45) | ALDH1A1CCR2HTR6 | |
| SCHEMBL28509589 | 0.83 | DRD4 (0.39) | ALDH1A1THRB | |
| Hydrochloric Acid SCHEMBL30516392 | 0.83 | HTR6 (0.40) | ALDH1A1HTR1ASIGMAR1THRBHTR6 | |
| SCHEMBL30516369 | 0.82 | SRPK1 (0.43) | ALDH1A1THRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112041300-A | Indole and benzimidazole derivatives as dual 5-HT2A and5-HT 6receptor antagonists | 阿达梅德制药公司 | 2020-12-04 | — | — | CN | disclosed |