Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2780244 | 0.93 | CYP3A4 (0.54) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL840872 | 0.86 | CYP3A4 (0.62) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL450599 | 0.85 | CYP3A4 (0.46) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL36019 | 0.85 | CYP3A4 (0.53) | CYP3A4TSHRALDH1A1TDP1SLC6A2 | |
| SCHEMBL29373097 | 0.85 | CYP3A4 (0.53) | CYP3A4TSHRALDH1A1TDP1SLC6A2 | |
| SCHEMBL10422322 | 0.85 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Ammonia Solution, Strong SCHEMBL9517239 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1TDP1SLC6A2 | |
| Hydrochloric Acid SCHEMBL11743462 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1TDP1SLC6A2 | |
| SCHEMBL9719138 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1TDP1SLC6A2 | |
| SCHEMBL1759362 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1TDP1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5025078-A | Curing agent; heat resistance, elongation and toughness | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-06-18 | — | — | US | disclosed |