Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795110 | 1.00 | CA1 (0.37) | CA1CA2CA4SMN1; SMN2HSD17B10 | |
| SCHEMBL9795084 | 0.76 | TSHR (0.37) | CA1CA2CA4TSHR | |
| SCHEMBL9795088 | 0.76 | TSHR (0.37) | CA1CA2CA4TSHR | |
| SCHEMBL9795308 | 0.74 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10TSHRL3MBTL1 | |
| SCHEMBL9795293 | 0.74 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10TSHRL3MBTL1 | |
| SCHEMBL9795300 | 0.74 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10TSHRL3MBTL1 | |
| SCHEMBL9497838 | 0.71 | CA1 (0.39) | CA1CA2CA4SMN1; SMN2HSD17B10 | |
| SCHEMBL9795378 | 0.71 | CA1 (0.39) | CA1CA2CA4SMN1; SMN2HSD17B10 | |
| Cyclohexanol SCHEMBL9499447 | 0.69 | CYP2D6 (0.41) | SMN1; SMN2HSD17B10TSHRL3MBTL1 | |
| SCHEMBL9498434 | 0.69 | CA1 (0.44) | CA1CA2CA4SMN1; SMN2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |