Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.61 |
| ▸ | TSHR | P16473 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | CASP1 | P29466 | 3/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL29437149 | 0.86 | — | — | |
| SCHEMBL33731 | 0.86 | — | — | |
| SCHEMBL5360237 | 0.84 | CYP3A4 (0.61) | CYP3A4TSHRALDH1A1CASP1THRB | |
| Hydrochloric Acid SCHEMBL28886798 | 0.84 | CYP3A4 (0.71) | CYP3A4TSHRALDH1A1CASP1THRB | |
| Hydrochloric Acid SCHEMBL10882631 | 0.84 | CYP3A4 (0.71) | CYP3A4TSHRALDH1A1CASP1THRB | |
| SCHEMBL9682605 | 0.83 | CASP1 (0.56) | CYP3A4TSHRALDH1A1CASP1THRB | |
| SCHEMBL29169963 | 0.81 | CYP3A4 (0.68) | CYP3A4TSHRALDH1A1CASP1THRB | |
| SCHEMBL10797376 | 0.80 | CYP3A4 (0.70) | CYP3A4TSHRALDH1A1CASP1THRB | |
| SCHEMBL29683620 | 0.79 | GAA (0.67) | CYP3A4TSHRALDH1A1CASP1ALOX15 | |
| SCHEMBL2026149 | 0.79 | GAA (0.67) | CYP3A4TSHRALDH1A1CASP1ALOX15 |
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-5175367-A | Fluorine-containing diamines, polyamides, and polyimides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-12-29 | — | — | US | disclosed |