Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL6630726 | 0.81 | ALDH1A1 (0.36) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6630125 | 0.76 | CYP2D6 (0.32) | CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL692395 | 0.76 | ALDH1A1 (0.43) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E | |
| SCHEMBL10601108 | 0.75 | LMNA (0.32) | CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL6635323 | 0.73 | CYP2D6 (0.37) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL65889 | 0.71 | ALOX15 (0.59) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E | |
| Benzene SCHEMBL10638262 | 0.71 | ALOX15 (0.59) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6632842 | 0.70 | CA12 (0.42) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| Phosphine SCHEMBL3135561 | 0.70 | ALOX15 (0.57) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E | |
| Phosphine SCHEMBL3820807 | 0.70 | ALOX15 (0.57) | CYP2D6ALOX15ALDH1A1HSD17B10KDM4E |
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 |