Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PDE8B | O95263 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL692418 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1074366 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1076294 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL692740 | 0.73 | PDE8B (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13926755 | 0.69 | IDO1 (0.52) | CYP3A4ALOX15CMA1SMN1; SMN2GSK3A | |
| SCHEMBL16832321 | 0.69 | GAA (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20281262 | 0.69 | GAA (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1801455 | 0.67 | NPBWR1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16014490 | 0.67 | CYP2D6 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19925941 | 0.67 | POLB (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104955358-A | Kit for coloring hair | UNILEVER NV | 2015-09-30 | — | — | CN | disclosed |