Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL199772 | 0.89 | CA1 (0.58) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL15347576 | 0.83 | CA1 (0.52) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL27728974 | 0.83 | GABRA1 (0.55) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL17500114 | 0.83 | CA1 (0.46) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL9516053 | 0.82 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL18924599 | 0.82 | ERN1 (0.38) | — | |
| SCHEMBL31593161 | 0.82 | CYP1A2 (0.57) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL31593162 | 0.82 | CYP1A2 (0.57) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL6768184 | 0.82 | CYP1A2 (0.57) | CA1CA2GABRA1GABRB1GABRB2 | |
| SCHEMBL9622193 | 0.80 | GABRA1 (0.50) | CA1CA2GABRA1GABRB1GABRB2 |
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-5633418-A | CATALYTIC DIMERIZATION OF OLEFIN IN PRESENCE OF ORGANONICKEL, ORGANOALUMINUM AND ORGANOPHOSPHITE COMPOUNDS USED AS CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-05-27 | — | — | US | disclosed |