Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | FLT4 | P35916 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.34 |
| ▸ | CLK2 | P49760 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976804 | 0.91 | TRPA1 (0.37) | TRPA1ANO1HDAC6CHRNA1CHRNG | |
| SCHEMBL19976730 | 0.87 | HDAC6 (0.41) | HDAC6CDK2CDK1FLT4MAPK8 | |
| SCHEMBL19976785 | 0.86 | MAPK1 (0.38) | TRPA1HDAC6CDK2CDK1FLT4 | |
| SCHEMBL19976929 | 0.85 | RIPK1 (0.37) | HDAC6CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL19976726 | 0.84 | ABL1 (0.41) | HDAC6CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL19976857 | 0.84 | MAPK1 (0.35) | TRPA1HDAC6CDK2CDK1FLT4 | |
| SCHEMBL19976765 | 0.82 | NTRK1 (0.41) | ANO1HDAC6CDK2CDK1FLT4 | |
| SCHEMBL16752857 | 0.82 | CHRNA1 (0.34) | ANO1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL16752855 | 0.82 | CHRNA1 (0.34) | ANO1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL19976768 | 0.81 | MAPK1 (0.38) | TRPA1HDAC6CDK2CDK1FLT4 |
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-9920012-B2 | Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2018-03-20 | — | — | US | disclosed |