Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | TYR | P14679 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA7 | P43166 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL6630319 | 0.83 | ALDH1A1 (0.37) | ESR1ESR2ALDH1A1HSD17B10TYR | |
| SCHEMBL21979550 | 0.77 | SRC (0.32) | — | |
| SCHEMBL50091 | 0.73 | IDO1 (0.48) | ALDH1A1HSD17B10LMNAALOX15HTT | |
| SCHEMBL6048390 | 0.72 | HSD17B10 (0.35) | ESR1ESR2ALDH1A1HSD17B10TYR | |
| SCHEMBL9559831 | 0.71 | CYP1A2 (0.40) | ALDH1A1KDM4EMAPTCES2ALOX5 | |
| SCHEMBL6629484 | 0.68 | HSD17B10 (0.37) | ESR1ESR2ALDH1A1HSD17B10LMNA | |
| SCHEMBL23175272 | 0.67 | DYRK1A (0.39) | ESR1ESR2ALDH1A1HSD17B10LMNA | |
| SCHEMBL5032964 | 0.67 | MCL1 (0.38) | ESR1ESR2HSD17B10LMNAALOX15 | |
| SCHEMBL7783966 | 0.66 | IDO1 (0.50) | ESR1ESR2ALDH1A1HSD17B10TYR | |
| SCHEMBL1296866 | 0.65 | CYP1A2 (0.48) | ESR1ESR2ALDH1A1HSD17B10LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1276035-C | Water-color ink | MITSUI CHEMICALS INC (JP) | 2006-09-20 | — | — | CN | disclosed |
| CN-1558934-A | Water-color ink | 三井化学株式会社 | 2004-12-29 | — | — | CN | disclosed |
| 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 |