Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548834 | 1.00 | NPSR1 (0.50) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| SCHEMBL11548836 | 1.00 | NPSR1 (0.50) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL11565607 | 0.98 | NPSR1 (0.48) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL11565610 | 0.98 | NPSR1 (0.48) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| SCHEMBL27499483 | 0.85 | NPSR1 (0.44) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| SCHEMBL11564983 | 0.84 | NPSR1 (0.47) | NPSR1ALOX15HCAR2ALDH1A1HSD17B10 | |
| SCHEMBL11550353 | 0.81 | ATM (0.55) | NPSR1HCAR2ALDH1A1HSD17B10LMNA | |
| SCHEMBL11550350 | 0.81 | ATM (0.55) | NPSR1HCAR2ALDH1A1HSD17B10LMNA | |
| SCHEMBL11563279 | 0.81 | ATM (0.55) | NPSR1HCAR2ALDH1A1HSD17B10LMNA | |
| SCHEMBL11567144 | 0.79 | CHRM1 (0.52) | NPSR1ALDH1A1LMNAMAPTGAA |
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-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |
| US-4136187-A | CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | disclosed |
| US-3959292-A | HYPOTENSIVE AGENTS, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |