Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1713136 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CES2CES1CTSLLMNA | |
| SCHEMBL5664608 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL3182088 | 0.72 | ALDH1A1 (0.48) | ALDH1A1DUSP3PTPN5PTPN11CES2 | |
| SCHEMBL727222 | 0.71 | CES2 (0.54) | ALDH1A1CES2CES1CA1CA2 | |
| SCHEMBL13623086 | 0.71 | CES2 (0.52) | ALDH1A1DUSP3PTPN5PTPN11CES2 | |
| SCHEMBL1742490 | 0.69 | CES2 (0.50) | ALDH1A1DUSP3PTPN5PTPN11CES2 | |
| SCHEMBL11322817 | 0.68 | HTT (0.43) | ALDH1A1CES2CES1MGLLCA1 | |
| SCHEMBL11322821 | 0.68 | HTT (0.43) | ALDH1A1CES2CES1MGLLCA1 | |
| SCHEMBL22130014 | 0.67 | HTT (0.50) | ALDH1A1DUSP3PTPN5PTPN11CES2 | |
| SCHEMBL8717603 | 0.67 | CES2 (0.48) | ALDH1A1DUSP3PTPN5PTPN11CES2 |
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 2 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 |