Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9061607 | 0.96 | FAAH (0.41) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL9061734 | 0.91 | TSHR (0.43) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL9061433 | 0.88 | DAO (0.46) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL9060258 | 0.88 | ALOX5 (0.39) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL9062396 | 0.86 | TSHR (0.49) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL9061450 | 0.86 | ALOX5 (0.38) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL2056243 | 0.84 | TSHR (0.50) | TSHRDAOHDAC3HDAC1HDAC2 | |
| SCHEMBL9062034 | 0.83 | HDAC3 (0.39) | TSHRHDAC3HDAC1HDAC2 | |
| SCHEMBL9060352 | 0.83 | HCRTR1 (0.44) | TSHRDAO | |
| SCHEMBL10532774 | 0.83 | PPARG (0.39) | DAOHDAC3HDAC1HDAC2GPR84 |
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 5 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 |
| WO-1989002884-A1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-04-06 | — | — | WO | disclosed |