Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060736 | 1.00 | TSHR (0.45) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL9061030 | 0.90 | PPARG (0.46) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL9061019 | 0.90 | PPARG (0.46) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL1687455 | 0.89 | TSHR (0.53) | TSHRSLC6A4SLC6A3GPR84ALDH1A1 | |
| SCHEMBL9061347 | 0.89 | FAAH (0.47) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL9061353 | 0.89 | FAAH (0.47) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL9060653 | 0.88 | TSHR (0.49) | TSHRSLC6A4PPARGPPARAALDH1A1 | |
| SCHEMBL9060664 | 0.88 | TSHR (0.49) | TSHRSLC6A4PPARGPPARAALDH1A1 | |
| SCHEMBL9062000 | 0.88 | FAAH (0.49) | TSHRSLC6A4SLC6A3PPARGPPARA | |
| SCHEMBL9060456 | 0.88 | FAAH (0.49) | TSHRSLC6A4SLC6A3PPARGPPARA |
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 |