Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | CASP6 | P55212 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NT5E | P21589 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9179068 | 0.83 | CTDSP1 (0.42) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL19982597 | 0.80 | TTR (0.51) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL343299 | 0.79 | TTR (0.41) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL343300 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL7554182 | 0.77 | RAPGEF4 (0.49) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8641895 | 0.77 | RAPGEF4 (0.49) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL7554180 | 0.77 | RAPGEF4 (0.49) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL3396551 | 0.77 | RAPGEF4 (0.49) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL342537 | 0.77 | ALDH1A1 (0.64) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL11426855 | 0.77 | RAPGEF4 (0.49) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010060569-A1 | IMPROVED OPTICAL BRIGHTENING COMPOSITIONS FOR HIGH QUALITY INK JET PRINTING | CLARIANT INTERNATIONAL LTD (CH) | 2010-06-03 | — | — | WO | disclosed |
| US-5409916-A | Brilliant violet shades; free of heavy metals | HOECHST CELANESE CORPORATION (US) | 1995-04-25 | — | — | US | disclosed |
| WO-1994029283-A1 | FIBER REACTIVE ANTHRAQUINONE DYES | HOECHST CELANESE CORPORATION (US) | 1994-12-22 | — | — | WO | disclosed |