Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL6068356 | 0.78 | MAP4K4 (0.37) | SMPD3MAP4K4PDE9APDE10ATP53 | |
| SCHEMBL6068582 | 0.76 | SMPD3 (0.47) | SMPD3PDE10AGRM2DRD2SIGMAR1 | |
| SCHEMBL6068353 | 0.73 | MAP4K4 (0.37) | SMPD3MAP4K4PDE9APDE10ATP53 | |
| SCHEMBL6068580 | 0.72 | SMPD3 (0.47) | SMPD3RENDRD2HTR2ASIGMAR1 | |
| SCHEMBL5414663 | 0.66 | — | — | |
| SCHEMBL6068579 | 0.65 | SMPD3 (0.46) | SMPD3DRD2SIGMAR1 | |
| SCHEMBL6068490 | 0.62 | SMPD3 (0.33) | SMPD3 | |
| SCHEMBL19226601 | 0.62 | TP53 (0.44) | MAP4K4PDE10ATP53DRD2 | |
| SCHEMBL17886516 | 0.61 | TP53 (0.46) | MAP4K4PDE10ATP53 | |
| SCHEMBL12026532 | 0.61 | PDE9A (0.45) | MAP4K4PDE9ATP53DRD2 |
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-7091350-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |