Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 13/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4819455 | 0.89 | GAA (0.48) | CASP1ALDH1A1TSHRGAAMAPT | |
| SCHEMBL11059105 | 0.89 | GAA (0.48) | CASP1ALDH1A1TSHRGAAMAPT | |
| SCHEMBL20740123 | 0.83 | CTSL (0.50) | CASP1TDP1GAAMAPT | |
| SCHEMBL20875154 | 0.83 | CTSL (0.50) | CASP1TDP1GAAMAPT | |
| SCHEMBL7166866 | 0.79 | CASP1 (0.66) | CASP1 | |
| SCHEMBL732093 | 0.79 | CASP1 (0.66) | CASP1 | |
| SCHEMBL8085967 | 0.79 | CASP1 (0.66) | CASP1 | |
| SCHEMBL11062723 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRGAA | |
| SCHEMBL4178228 | 0.78 | MME (0.44) | ALDH1A1TDP1TSHRMAPTKMT2A | |
| SCHEMBL4182695 | 0.78 | MME (0.44) | ALDH1A1TDP1TSHRMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0334236-B1 | Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester | MITSUI TOATSU CHEMICALS (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5302743-A | Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-04-12 | — | — | US | disclosed |