Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7310159 | 0.83 | ABL1 (0.43) | CYP2C19CYP1A2MEN1KMT2AMAPT | |
| SCHEMBL7308295 | 0.74 | CHEK1 (0.41) | TDP1L3MBTL1ALDH1A1MAPK1LMNA | |
| SCHEMBL1497100 | 0.69 | CYP2C19 (0.48) | SLC6A4SLC6A3PTGS2PTGS1CYP2C19 | |
| SCHEMBL11614999 | 0.66 | ABL1 (0.46) | PTGS2CYP2C19CYP1A2FFAR1FFAR4 | |
| SCHEMBL9862848 | 0.64 | CYP1A2 (0.63) | SLC6A4SLC6A3PTGS2PTGS1CYP1A2 | |
| SCHEMBL387189 | 0.63 | XDH (0.51) | SLC6A4SLC6A3PTGS2PTGS1CYP1A2 | |
| SCHEMBL18045052 | 0.62 | CYP1A2 (0.68) | SLC6A4SLC6A3PTGS2PTGS1CYP1A2 | |
| SCHEMBL31491188 | 0.62 | CYP1A2 (0.60) | SLC6A4SLC6A3PTGS2PTGS1CYP1A2 | |
| SCHEMBL11151194 | 0.62 | CYP1A2 (0.60) | SLC6A4SLC6A3PTGS2PTGS1CYP1A2 | |
| SCHEMBL471981 | 0.62 | SYK (0.39) | MEN1KMT2ATDP1MAPTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0644197-B1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | VERTEX PHARMA (US) | 1998-09-09 | — | — | EP | claimed |
| EP-0644197-A1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-03-22 | — | — | EP | claimed |
| EP-0644197-B1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | VERTEX PHARMA (US) | 1998-09-09 | — | — | EP | disclosed |