Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.40 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900634 | 1.00 | KCNH2 (0.41) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL11353943 | 0.94 | KCNH2 (0.42) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL5682380 | 0.86 | AHR (0.45) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL8325205 | 0.86 | AHR (0.45) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL5682382 | 0.86 | AHR (0.45) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL11587602 | 0.83 | TNNC1 (0.38) | TNNC1 | |
| SCHEMBL2090828 | 0.81 | HSD17B10 (0.45) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL2094193 | 0.81 | CYP1A2 (0.42) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL2094196 | 0.81 | CYP1A2 (0.42) | KCNH2AHRGRIK1GRIK2GRIK3 | |
| SCHEMBL809723 | 0.80 | KCNH2 (0.44) | KCNH2AHRGRIK1GRIK2GRIK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197797-B1 | ANTICANCER AGENTS; SKIN DISORDERS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 2001-03-06 | — | — | US | disclosed |
| EP-0984939-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998054145-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1998-12-03 | — | — | WO | disclosed |