Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.65 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.65 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7438034 | 1.00 | SIGMAR1 (0.65) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL7446957 | 0.92 | SIGMAR1 (0.53) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL6479844 | 0.84 | SIGMAR1 (0.75) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL23612751 | 0.80 | SIGMAR1 (0.71) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL19034848 | 0.80 | SIGMAR1 (0.71) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL19636761 | 0.80 | SIGMAR1 (0.71) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL2930549 | 0.79 | SIGMAR1 (0.67) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL11010870 | 0.79 | SIGMAR1 (0.91) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL10304524 | 0.79 | SIGMAR1 (0.67) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| Esaprazole SCHEMBL931007 | 0.79 | SIGMAR1 (1.00) | SIGMAR1CHRM5CHRM3CA12CA1 |
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-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |