Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060664 | 1.00 | TSHR (0.49) | TSHRTUBB1ALOX5PTGS1PTGS2 | |
| SCHEMBL155707 | 0.88 | TSHR (0.58) | TSHRALDH1A1LMNAMAPTSLC6A4 | |
| SCHEMBL9060735 | 0.88 | TSHR (0.45) | TSHRALDH1A1LMNASLC6A4CYP2D6 | |
| SCHEMBL9060736 | 0.88 | TSHR (0.45) | TSHRALDH1A1LMNASLC6A4CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL25380785 | 0.86 | TSHR (0.56) | TSHRALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL13790221 | 0.86 | CYP2D6 (0.50) | PTGS1MAPTMAOBCYP2D6RELA | |
| SCHEMBL9061030 | 0.85 | PPARG (0.46) | TSHRALOX5ALDH1A1SLC6A4PPARG | |
| SCHEMBL9061019 | 0.85 | PPARG (0.46) | TSHRALOX5ALDH1A1SLC6A4PPARG | |
| SCHEMBL7788592 | 0.84 | TSHR (0.45) | TSHRALDH1A1LMNAMAPTHPGD | |
| SCHEMBL7788596 | 0.84 | TSHR (0.45) | TSHRALDH1A1LMNAMAPTHPGD |
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 |