Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.40 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.40 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL3808961 | 0.84 | BACE1 (0.53) | CA2TRPA1MAPTGAAALOX15 | |
| SCHEMBL28596261 | 0.82 | NPC1 (0.49) | ESR1CA1CA2ALOX15HSD17B10 | |
| SCHEMBL29836278 | 0.82 | ALDH1A1 (0.59) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL2919862 | 0.82 | ALDH1A1 (0.59) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL31146612 | 0.82 | ALDH1A1 (0.59) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL2916047 | 0.81 | IGF1R (0.43) | CA2MAPTGAAALOX15ALDH1A1 | |
| SCHEMBL7792896 | 0.81 | HPGD (0.56) | CA1CA2MAPTGAAALOX15 | |
| SCHEMBL30026979 | 0.80 | ALDH1A1 (0.63) | ESR1ESR2CA1CA2GAA | |
| SCHEMBL133971 | 0.80 | ALDH1A1 (0.63) | ESR1ESR2CA1CA2GAA | |
| SCHEMBL7605117 | 0.80 | ERCC1 (0.36) | ESR1ESR2CA1CA2TRPA1 |
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-5229445-A | Stabilized against thermal degradation by inclusion of sterically hindered symmetrical diesters of phenolic alkanoic acids and N,N*-di/hydroxyalkyl/oxalamide | SHELL OIL COMPANY (US) | 1993-07-20 | — | — | US | disclosed |