Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 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 | |
|---|---|---|---|---|
| SCHEMBL14779968 | 0.83 | CHRNB2 (0.31) | DPP4DPP9DDAH1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL3222748 | 0.83 | CHRNB2 (0.31) | DPP4DPP9DDAH1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL3222741 | 0.83 | CHRNB2 (0.31) | DPP4DPP9DDAH1CHRNB2CHRNA4 | |
| SCHEMBL28321126 | 0.78 | DDAH1 (0.40) | DDAH1SLC1A1NOS3NOS1NOS2 | |
| SCHEMBL10305065 | 0.77 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL13745250 | 0.76 | CHRNB2 (0.32) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1815697 | 0.76 | SLC1A1 (0.50) | DPP4DPP9SLC1A1GRIK1SLC1A3 | |
| SCHEMBL524526 | 0.76 | — | — | |
| SCHEMBL13745633 | 0.76 | DPP4 (0.39) | DPP4DPP9NOS3NOS1NOS2 | |
| SCHEMBL4078186 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |