Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.36 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635438 | 0.77 | TTR (0.43) | COMTAURKAAURKBCYP1A2TTR | |
| SCHEMBL6632276 | 0.75 | COMT (0.38) | COMTAURKAAURKBCYP1A2TNNI3 | |
| SCHEMBL6635201 | 0.74 | TTR (0.44) | COMTAURKAAURKBCYP1A2TNNI3 | |
| SCHEMBL6632348 | 0.74 | TTR (0.37) | AURKAAURKBCYP1A2TTRCTRB1 | |
| SCHEMBL7770874 | 0.73 | — | — | |
| SCHEMBL7574819 | 0.70 | CYP1A2 (0.39) | COMTAURKAAURKBCYP1A2TNNI3 | |
| SCHEMBL6631749 | 0.69 | TTR (0.43) | COMTAURKAAURKBCYP1A2TNNI3 | |
| SCHEMBL7066887 | 0.68 | NT5E (0.44) | CYP1A2ALDH1A1HSD17B10LMNA | |
| SCHEMBL6630440 | 0.68 | HSD17B10 (0.35) | ALDH1A1HIF1AHSD17B10LMNA | |
| SCHEMBL3486657 | 0.68 | CYP1A2 (0.49) | COMTAURKAAURKBCYP1A2TNNI3 |
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 |