Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004834 | 0.82 | CYP1A2 (0.40) | CYP1A2GRIK1GRIK2RARBHAO1 | |
| SCHEMBL4091531 | 0.81 | KRAS (0.35) | — | |
| SCHEMBL22077241 | 0.74 | SLC6A3 (0.34) | — | |
| SCHEMBL2646143 | 0.73 | SLC6A2 (0.37) | — | |
| SCHEMBL1207568 | 0.73 | SLC6A2 (0.37) | — | |
| SCHEMBL9342959 | 0.71 | CYP1A2 (0.51) | CYP1A2RARBHAO1 | |
| SCHEMBL22077232 | 0.70 | FFAR3 (0.39) | CYP1A2RARB | |
| SCHEMBL21950914 | 0.70 | KDM4E (0.46) | CYP1A2HAO1 | |
| SCHEMBL28690444 | 0.70 | SLC6A3 (0.35) | — | |
| SCHEMBL252316 | 0.69 | DHODH (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0650471-A1 | ALICYCLIC DIAMINE FUNGICIDES | BTG INTERNATIONAL LIMITED (GB) | 1995-05-03 | — | — | EP | disclosed |
| WO-1993024444-A1 | ALICYCLIC DIAMINE FUNGICIDES | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1993-12-09 | — | — | WO | disclosed |