Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 14/20 | 0.57 |
| ▸ | NOS3 | P29474 | 9/20 | 0.57 |
| ▸ | NOS2 | P35228 | 6/20 | 0.49 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL218649 | 0.97 | NOS1 (0.54) | NOS1NOS3NOS2ACACACHRNB2 | |
| SCHEMBL218712 | 0.88 | NOS1 (0.65) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| SCHEMBL6585074 | 0.87 | ACACA (0.50) | NOS1NOS3ACACAKDM4EMEN1 | |
| SCHEMBL222693 | 0.87 | NOS1 (0.73) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| Guaiacol SCHEMBL4699468 | 0.86 | NOS1 (0.62) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| SCHEMBL6585604 | 0.85 | NOS1 (0.61) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| SCHEMBL4692515 | 0.84 | NOS1 (0.60) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| SCHEMBL220285 | 0.78 | NOS1 (0.61) | NOS1NOS3NOS2CHRNB2CHRNA4 | |
| SCHEMBL220827 | 0.77 | NOS1 (0.63) | NOS1NOS3NOS2 | |
| SCHEMBL4282766 | 0.77 | NOS1 (0.53) | NOS1NOS3NOS2KDM4EMEN1 |
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-2009158646-A1 | THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE | ELIXIR PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |