Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 8/20 | 0.59 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | ACE | P12821 | 6/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11777894 | 1.00 | GRIA1 (0.59) | GRIA1CTSLACEL3MBTL1CA12 | |
| SCHEMBL11774786 | 0.89 | GRIA1 (0.47) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11777896 | 0.89 | GRIA1 (0.47) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11776373 | 0.89 | GRIA1 (0.47) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11778692 | 0.87 | GRIA1 (0.46) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11781378 | 0.87 | CA2 (0.48) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11779711 | 0.86 | ACE (0.46) | GRIA1ACE | |
| SCHEMBL11774229 | 0.86 | CA2 (0.49) | GRIA1CA12CA1CA2CA9 | |
| SCHEMBL11774072 | 0.85 | GRIA1 (0.46) | GRIA1 | |
| SCHEMBL11777164 | 0.85 | CTSL (0.58) | GRIA1CTSLACEL3MBTL1CA12 |
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 |