Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL14930751 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL361328 | 0.78 | CA2 (0.48) | CA2GABRA1GABRB2 | |
| SCHEMBL14930750 | 0.72 | — | — | |
| SCHEMBL11351266 | 0.71 | GABRA1 (0.50) | CA2GABRA1GABRB2 | |
| SCHEMBL18389205 | 0.68 | CA2 (0.39) | CA2GABRA1GABRB2 | |
| SCHEMBL24246848 | 0.64 | ALOX12 (0.40) | CA2GABRA1GABRB2 | |
| SCHEMBL961149 | 0.64 | CA2 (0.46) | CA2GABRA1GABRB2 | |
| SCHEMBL25639062 | 0.63 | CA2 (0.34) | CA2GABRA1GABRB2 | |
| SCHEMBL24412224 | 0.63 | CA2 (0.38) | CA2GABRA1GABRB2 | |
| SCHEMBL16771251 | 0.61 | CA2 (0.48) | CA2GABRA1GABRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096791-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20130116464-A1 | METAL COMLEXES | MERK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |