Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14366249 | 0.90 | FASN (0.46) | FASNESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL10553488 | 0.87 | FASN (0.38) | FASNGRM2ALDH1A1 | |
| SCHEMBL10556339 | 0.86 | SLC6A3 (0.40) | FASNGRM2ALDH1A1LMNASLC6A2 | |
| SCHEMBL10553909 | 0.86 | ALDH1A1 (0.39) | FASNGRM2ALDH1A1 | |
| SCHEMBL10553524 | 0.86 | ALDH1A1 (0.39) | FASNGRM2ALDH1A1 | |
| SCHEMBL10552861 | 0.86 | SLC6A2 (0.40) | FASNCYP3A4CYP2C9ALDH1A1SLC6A2 | |
| SCHEMBL10552226 | 0.86 | GRM2 (0.38) | FASNGRM2ALDH1A1TP53SLC6A2 | |
| SCHEMBL10548456 | 0.86 | GRM2 (0.39) | FASNGRM2DRD4DRD3ALDH1A1 | |
| SCHEMBL10549157 | 0.86 | ALDH1A1 (0.39) | FASNGRM2ALDH1A1 | |
| SCHEMBL10549040 | 0.86 | FASN (0.37) | FASNALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4818431-A | ELECTROOPTICAL DISPLAY ELEMENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-04-04 | — | — | US | disclosed |
| EP-0117476-B1 | TETRAHYDROPYRANES | MERCK PATENT GmbH (DE) | 1987-09-16 | — | — | EP | disclosed |
| EP-0117476-A1 | Tetrahydropyranes | MERCK PATENT GmbH (DE) | 1984-09-05 | — | — | EP | disclosed |