Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CASP2 | P42575 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | PPARD | Q03181 | 3/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27150348 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL27966662 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL28041964 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL13731861 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL2420545 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL21122034 | 1.00 | EPHX1 (0.52) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL1442907 | 0.98 | HDAC3 (0.49) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL11743177 | 0.91 | — | — | |
| SCHEMBL30656129 | 0.87 | EPHX1 (0.48) | EPHX1HDAC3HDAC1HDAC2HDAC11 | |
| SCHEMBL6126649 | 0.87 | EPHX1 (0.48) | EPHX1HDAC3HDAC1HDAC2HDAC11 |
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-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |