Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CASP6 | P55212 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NSD2 | O96028 | 3/20 | 0.45 |
| ▸ | NT5E | P21589 | 3/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.45 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6633540 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL4904953 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6632503 | 0.82 | NT5E (0.33) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL11315411 | 0.81 | CASP6 (0.54) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6630593 | 0.76 | CASP6 (0.49) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6632477 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL2210354 | 0.75 | CASP6 (0.47) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL5034793 | 0.74 | CYP1A2 (0.38) | ALDH1A1HSD17B10CYP1A2HIF1ATSHR | |
| SCHEMBL6631900 | 0.72 | ALDH1A1 (0.47) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6631111 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CASP6HSD17B10CYP2C9CYP2C19 |
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 |