Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14999154 | 0.78 | SRC (0.39) | ESR2SLC22A12SCN9A | |
| SCHEMBL18498954 | 0.75 | NQO2 (0.37) | ESR2 | |
| SCHEMBL18520603 | 0.73 | ALDH1A1 (0.44) | ESR2 | |
| SCHEMBL29069658 | 0.72 | SLC22A12 (0.34) | ESR2SLC22A12CA1CA2 | |
| SCHEMBL12367211 | 0.71 | HTR1A (0.41) | ESR2SLC22A12CA1CA2 | |
| SCHEMBL4490029 | 0.71 | SLC22A12 (0.47) | ESR2SLC22A12CA1CA2 | |
| SCHEMBL3851998 | 0.71 | SLC22A12 (0.56) | ESR2SLC22A12CA1CA2 | |
| SCHEMBL244619 | 0.70 | PDGFRB (0.48) | CA1CA2 | |
| SCHEMBL244158 | 0.70 | ALDH1A1 (0.36) | SLC22A12CA1CA2 | |
| SCHEMBL15125302 | 0.70 | PDE4A (0.35) | ESR2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017027768-A1 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | THE BROAD INSTITUTE, INC. (US) | 2017-02-16 | — | — | WO | disclosed |