Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28024283 | 0.79 | CYP2D6 (0.37) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL6682969 | 0.75 | KIF11 (0.42) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL5549454 | 0.74 | CYP2D6 (0.62) | CYP2D6CYP2C19HIF1AALDH1A1HSD17B10 | |
| SCHEMBL9858404 | 0.74 | CYP2D6 (0.38) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL4447199 | 0.74 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28312162 | 0.74 | CYP2D6 (0.44) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL15821748 | 0.74 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28500872 | 0.74 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL336626 | 0.72 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL6546209 | 0.72 | SIGMAR1 (0.48) | CYP2D6TAAR1MAPK1 |
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-1969033-A | Perfumed liquid laundry detergent composition comprising a functionalized silicone fabric care agent | PROCTER & GAMBLE (US) | 2007-05-23 | — | — | CN | disclosed |