Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.46 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11879082 | 0.91 | TSHR (0.47) | ALDH1A1CES1ALDH3A1CHRM1TSHR | |
| SCHEMBL11877772 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL26688636 | 0.77 | CHRM1 (0.45) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL26688648 | 0.77 | CHRM1 (0.45) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL11872380 | 0.75 | TSHR (0.51) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL2493279 | 0.73 | TSHR (0.83) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL11851828 | 0.71 | TSHR (0.72) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL11850946 | 0.70 | TSHR (0.70) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 | |
| SCHEMBL16298486 | 0.69 | PDE5A (0.52) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11877009 | 0.69 | CASP3 (0.45) | ALDH1A1CES1ALDH3A1ALDH2CHRM1 |
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-3984556-A | Alkyl-substituted-tricyclic quinazolinones for lowering blood pressure | SANDOZ, INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3982000-A | Alkyl-substituted-tricyclic quinazolinones as bronchodilators | SANDOZ, INC. (US) | 1976-09-21 | — | — | US | disclosed |