Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 9/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.45 |
| ▸ | CHRNG | P07510 | 1/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | CHRND | Q07001 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11777896 | 1.00 | GRIA1 (0.47) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11776373 | 0.89 | GRIA1 (0.47) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11779137 | 0.89 | GRIA1 (0.59) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11777894 | 0.89 | GRIA1 (0.59) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11781378 | 0.88 | CA2 (0.48) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11778692 | 0.88 | GRIA1 (0.46) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11774229 | 0.86 | CA2 (0.49) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11774072 | 0.85 | GRIA1 (0.46) | GRIA1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL11778432 | 0.83 | CA2 (0.52) | GRIA1CA2CA12CA1CA9 | |
| SCHEMBL11777823 | 0.82 | CHRM2 (0.51) | — |
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-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | disclosed |