Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6632637 | 0.82 | CYP2D6 (0.37) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL6630725 | 0.73 | ALDH1A1 (0.32) | ALDH1A1CASP1CASP7HSD17B10TDP1 | |
| SCHEMBL6633717 | 0.70 | ALDH1A1 (0.36) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL6633405 | 0.70 | CYP2D6 (0.36) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL6633422 | 0.69 | ALDH1A1 (0.39) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL6695939 | 0.68 | CYP2D6 (0.44) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL6631598 | 0.67 | TTR (0.35) | CYP2D6 | |
| SCHEMBL7921969 | 0.67 | — | — | |
| SCHEMBL6652615 | 0.67 | TDP1 (0.36) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL21800805 | 0.66 | LCK (0.39) | CYP2D6ALDH1A1CASP1CASP7HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040231558-A1 | Has a clear hue, high light fastness and high moisture resistance | MITSUI CHEMICALS, INC. (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1441013-A1 | WATERCOLOR INK | Mitsui Chemicals, Inc. (JP) | 2004-07-28 | — | — | EP | disclosed |