Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL7310159 | 0.85 | ABL1 (0.43) | HDAC4HDAC8 | |
| SCHEMBL7813336 | 0.76 | CHEK1 (0.48) | CHEK1BRD4ALDH1A1MAOBLMNA | |
| SCHEMBL1515820 | 0.75 | HTR7 (0.48) | BRD4ALDH1A1MAOBLMNAERN1 | |
| SCHEMBL7652640 | 0.74 | CHEK1 (0.46) | CHEK1BRD4ALDH1A1MAOBLMNA | |
| SCHEMBL7311998 | 0.74 | SLC6A4 (0.37) | ALDH1A1MAOBLMNAMAPK1TDP1 | |
| SCHEMBL2020140 | 0.72 | ABL1 (0.59) | BRD4ALDH1A1MAOBLMNAADORA2A | |
| SCHEMBL30749667 | 0.70 | ERN1 (0.55) | BRD4ALDH1A1MAOBLMNAERN1 | |
| SCHEMBL895794 | 0.70 | ERN1 (0.55) | BRD4ALDH1A1MAOBLMNAERN1 | |
| SCHEMBL11614999 | 0.70 | ABL1 (0.46) | ALDH1A1LMNAMAPK1HTTTDP1 | |
| SCHEMBL3455245 | 0.69 | ABL1 (0.60) | BRD4ALDH1A1MAOBLMNAADORA2A |
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 1 patent. 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 | disclosed |