Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
| ▸ | MPL | P40238 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1413154 | 0.80 | TTR (0.34) | COMTTTRCYP1A2AURKAAURKB | |
| SCHEMBL7574819 | 0.79 | CYP1A2 (0.39) | COMTTTRCYP1A2AURKAAURKB | |
| SCHEMBL6634814 | 0.76 | AURKA (0.44) | COMTTTRCYP1A2AURKAAURKB | |
| SCHEMBL6632839 | 0.76 | ALDH1A1 (0.36) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL5031748 | 0.75 | TTR (0.53) | COMTTTRCYP1A2AURKAAURKB | |
| SCHEMBL176809 | 0.74 | TTR (0.38) | COMTTTRCYP1A2LMNAPGAM1 | |
| SCHEMBL22471788 | 0.74 | NT5E (0.36) | CYP1A2LMNAHSD17B10ALDH1A1HIF1A | |
| SCHEMBL5683924 | 0.73 | PGAM1 (0.45) | COMTTTRCYP1A2LMNAPGAM1 | |
| SCHEMBL6632503 | 0.72 | NT5E (0.33) | TTRCYP1A2HSD17B10ALDH1A1HIF1A | |
| SCHEMBL7044667 | 0.71 | ALDH1A1 (0.39) | CYP1A2LMNAHSD17B10ALDH1A1HIF1A |
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 |