Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BMP1 | P13497 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780186 | 0.81 | SLC6A4 (0.46) | ALDH1A1MAPTTSHR | |
| SCHEMBL377862 | 0.80 | CYP4F2 (0.51) | ALDH1A1GAACYP4F2CYP4A11MAPT | |
| SCHEMBL9780325 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAATAS1R3TAS1R1MAPT | |
| SCHEMBL9734555 | 0.76 | ESR1 (0.53) | GAAESR1ESR2HTTMAPT | |
| SCHEMBL9733733 | 0.75 | HTT (0.57) | ALDH1A1HTTPOLB | |
| SCHEMBL9780185 | 0.75 | HTT (0.38) | ALDH1A1PTPRBGAAESR1ESR2 | |
| SCHEMBL6541372 | 0.75 | CA2 (0.47) | ALDH1A1GAAHTTMAPTTSHR | |
| SCHEMBL10911841 | 0.73 | L3MBTL1 (0.36) | ALDH1A1PTPRBGAAESR1ESR2 | |
| SCHEMBL4676623 | 0.72 | PPARG (0.43) | PPARGPPARAMAPTPOLBMEN1 | |
| SCHEMBL20244667 | 0.72 | ALDH1A1 (0.53) | ALDH1A1ACHEHTTMAPTKMT2A |
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-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |
| EP-0104885-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-06-04 | — | — | EP | disclosed |