Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 5/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5243308 | 0.85 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL17106184 | 0.85 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL17106187 | 0.85 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL63504 | 0.79 | ESR1 (0.39) | EPHX2ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL20572703 | 0.79 | — | — | |
| SCHEMBL13392565 | 0.79 | — | — | |
| SCHEMBL44806 | 0.79 | ESR1 (0.39) | EPHX2ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL674422 | 0.79 | ESR1 (0.39) | EPHX2ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL674423 | 0.79 | ESR1 (0.39) | EPHX2ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL10280142 | 0.78 | — | — |
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-2015020933-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-02-12 | — | — | WO | disclosed |