Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL12424289 | 0.80 | ESR1 (0.33) | NR1H2ALDH1A1TDP1BRD4 | |
| SCHEMBL13168284 | 0.77 | — | — | |
| SCHEMBL17831709 | 0.77 | SLC6A12 (0.42) | EPHX2NR1H2ALDH1A1TDP1 | |
| SCHEMBL337975 | 0.75 | EPHX2 (0.41) | EPHX2NR1H2TDP1 | |
| SCHEMBL1924098 | 0.75 | EPHX2 (0.41) | EPHX2NR1H2TDP1 | |
| SCHEMBL30877173 | 0.75 | — | — | |
| SCHEMBL1966116 | 0.75 | BRD4 (0.44) | EPHX2NR1H2BRD4 | |
| SCHEMBL17891872 | 0.75 | BRD4 (0.44) | EPHX2NR1H2BRD4 | |
| SCHEMBL338176 | 0.75 | BRD4 (0.44) | EPHX2NR1H2BRD4 | |
| SCHEMBL23748309 | 0.74 | — | — |
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-2009019174-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |