Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL27905839 | 0.72 | SCN9A (0.48) | SCN9AADORA2AADORA1NISCHMTOR | |
| SCHEMBL30641564 | 0.70 | PDE10A (0.46) | SCN9AADORA2AADORA1NISCHMTOR | |
| SCHEMBL27609155 | 0.69 | ALDH1A1 (0.46) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL30785478 | 0.68 | KDM4E (0.54) | KDM4E | |
| SCHEMBL5200449 | 0.68 | BRD4 (0.37) | ADORA2AADORA1NISCHMTORADK | |
| SCHEMBL3065277 | 0.67 | PDE4A (0.42) | SCN9AADORA2AADORA1NISCHMTOR | |
| SCHEMBL7465829 | 0.67 | ALDH1A1 (0.37) | SCN9AKDM4EALDH1A1 | |
| SCHEMBL16369738 | 0.65 | — | — | |
| SCHEMBL4599509 | 0.64 | — | — | |
| SCHEMBL2667493 | 0.64 | — | — |
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-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |