Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26431811 | 0.92 | TSHR (0.46) | TRPA1TP53TDP1OPRK1KMT2A | |
| SCHEMBL11053400 | 0.81 | KMT2A (0.46) | TDP1OPRK1KMT2AHTTSLC6A2 | |
| SCHEMBL26437113 | 0.81 | CYP1A2 (0.55) | TRPA1TP53TDP1OPRK1KMT2A | |
| SCHEMBL29771848 | 0.78 | OPRK1 (0.44) | TP53TDP1OPRK1KMT2AHTT | |
| SCHEMBL28227630 | 0.78 | TP53 (0.56) | TRPA1TP53TDP1OPRK1KMT2A | |
| SCHEMBL11759642 | 0.78 | TP53 (0.56) | TRPA1TP53TDP1OPRK1KMT2A | |
| SCHEMBL8923992 | 0.78 | OPRK1 (0.44) | TP53TDP1OPRK1KMT2AHTT | |
| SCHEMBL11753149 | 0.78 | TP53 (0.56) | TRPA1TP53TDP1OPRK1KMT2A | |
| SCHEMBL9621794 | 0.78 | OPRK1 (0.44) | TP53TDP1OPRK1KMT2AHTT | |
| SCHEMBL8956076 | 0.77 | TUBB1 (0.45) | TRPA1TP53TDP1KMT2AHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3321328-A1 | COMPOUND, COLORING COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INKJET PRINTER CARTRIDGE, AND INKJET RECORDED ARTICLE | FUJIFILM Corporation (JP) | 2018-05-16 | — | — | EP | disclosed |