Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9061838 | 0.84 | EPHX2 (0.46) | EPHX2CYP2C9CYP2J2SLC6A3DRD2 | |
| SCHEMBL2091568 | 0.78 | SLC6A3 (0.49) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL2091566 | 0.77 | SLC6A3 (0.45) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL5543073 | 0.76 | FFAR4 (0.40) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL6003155 | 0.74 | SLC6A3 (0.43) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL5164077 | 0.73 | HDAC3 (0.64) | EPHX2CYP2C9CYP2J2HDAC3HDAC1 | |
| SCHEMBL2097493 | 0.73 | SLC6A3 (0.42) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL2097495 | 0.73 | SLC6A3 (0.42) | EPHX2SLC6A3DRD2HDAC3HDAC1 | |
| SCHEMBL23881813 | 0.73 | SLC6A3 (0.48) | SLC6A3DRD2HDAC3HDAC1HDAC2 | |
| SCHEMBL2095128 | 0.73 | SLC6A3 (0.47) | SLC6A3DRD2HDAC3HDAC1HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5324449-A | Substituted phenyl trifluoromethyl ethers | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-28 | — | — | US | disclosed |
| EP-0334911-B1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0334911-A1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1989-10-04 | — | — | EP | disclosed |