Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.39 |
| ▸ | MMP9 | P14780 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14404661 | 0.88 | CA1 (0.37) | CA1CA2CA9CA14ESR1 | |
| SCHEMBL5108646 | 0.87 | ESR1 (0.49) | SIGMAR1CA9ESR1ESR2POLB | |
| SCHEMBL14051060 | 0.86 | ESR1 (0.42) | ESR1ESR2MCHR1KMT2APPARD | |
| SCHEMBL14404651 | 0.86 | ESR1 (0.42) | CA1CA2CA9CA14ESR1 | |
| SCHEMBL14051122 | 0.85 | ESR1 (0.41) | ESR1ESR2MEN1KMT2APPARD | |
| SCHEMBL14404749 | 0.83 | CYP3A4 (0.43) | ESR1ESR2MCHR1KMT2APPARD | |
| SCHEMBL5106836 | 0.82 | ESR1 (0.59) | ESR1ESR2MMP1MMP9POLB | |
| SCHEMBL14404660 | 0.80 | PPARA (0.36) | PPARDPPARA | |
| SCHEMBL14051061 | 0.78 | HRH3 (0.43) | ESR1ESR2MCHR1PPARA | |
| SCHEMBL5113517 | 0.78 | ESR1 (0.49) | CA1CA2CA9CA14ESR1 |
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-7279489-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-10-09 | — | — | US | disclosed |