Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20806204 | 0.93 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL29336498 | 0.92 | ESR1 (0.35) | ESR1ESR2 | |
| SCHEMBL21608566 | 0.90 | TMEM97 (0.36) | TMEM97SIGMAR1KCNH2 | |
| SCHEMBL21596530 | 0.85 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL22238959 | 0.84 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL29336586 | 0.83 | ALOX5AP (0.32) | ESR1ESR2 | |
| SCHEMBL22238926 | 0.82 | ESR1 (0.30) | ESR1ESR2 | |
| SCHEMBL20806203 | 0.82 | — | — | |
| SCHEMBL29336451 | 0.81 | — | — | |
| SCHEMBL25070556 | 0.81 | ESR1 (0.32) | ESR1ESR2 |
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-2019243216-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-12-26 | — | — | WO | disclosed |