Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6630725 | 0.83 | ALDH1A1 (0.32) | ALDH1A1HSD17B10CASP1CASP7TDP1 | |
| SCHEMBL692394 | 0.77 | MYC (0.37) | CYP2D6ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL6630125 | 0.74 | CYP2D6 (0.32) | CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL6632839 | 0.72 | ALDH1A1 (0.36) | CYP2D6ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL6635320 | 0.70 | CYP2D6 (0.31) | CYP2D6ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL11800700 | 0.68 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6633407 | 0.68 | CYP2D6 (0.41) | CYP2D6ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL10921837 | 0.66 | TSHR (0.41) | CYP2D6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL9158798 | 0.66 | TSHR (0.35) | ALDH1A1TSHRALOX15 | |
| SCHEMBL6636066 | 0.65 | COMT (0.37) | ALDH1A1HSD17B10CASP1CASP7TDP1 |
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 |