Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL21536087 | 0.82 | AURKA (0.33) | ESR1ESR2 | |
| SCHEMBL23776143 | 0.80 | MBOAT4 (0.37) | S1PR3 | |
| SCHEMBL21245968 | 0.78 | ESR1 (0.34) | ESR1ESR2 | |
| SCHEMBL15316713 | 0.74 | NOS3 (0.34) | ESR1 | |
| SCHEMBL19919593 | 0.72 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL20133641 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL21536492 | 0.71 | HSD11B1 (0.35) | — | |
| SCHEMBL27248181 | 0.71 | ESR1 (0.41) | OPRD1ESR1ESR2S1PR3 | |
| SCHEMBL13677282 | 0.69 | MAPT (0.42) | ESR1ESR2S1PR3 | |
| SCHEMBL9974290 | 0.69 | GCGR (0.37) | — |
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-2021163493-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-08-19 | — | — | WO | disclosed |