Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 4/20 | 0.51 |
| ▸ | PPARA | Q07869 | 4/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5048248 | 0.94 | L3MBTL1 (0.62) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL2712703 | 0.90 | PPARA (0.55) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| Butyric Acid SCHEMBL28143974 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL2365252 | 0.84 | ALOX15 (0.67) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL43054 | 0.83 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| Benzene SCHEMBL27779381 | 0.83 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL127395 | 0.83 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL473828 | 0.83 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19GAAPKM | |
| SCHEMBL38674 | 0.83 | L3MBTL1 (0.68) | CYP1A2CYP2C9CYP2C19PKML3MBTL1 | |
| Propionic Acid SCHEMBL15568852 | 0.82 | GAA (0.66) | CYP1A2CYP2C9CYP2C19GAAPKM |
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-1724532-A | Colorant compound | XEROX CORP (US) | 2006-01-25 | — | — | CN | disclosed |