Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | OGG1 | O15527 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27364207 | 0.78 | LMNA (0.48) | CES2RECQLCA1CA2CYP1A2 | |
| SCHEMBL1403013 | 0.75 | TDP1 (0.54) | CES2CES1RECQLCA1CA2 | |
| SCHEMBL3045890 | 0.73 | ALDH1A1 (0.58) | CES2CES1RECQLOGG1CA1 | |
| SCHEMBL615632 | 0.72 | CES2 (0.62) | CES2CES1RECQLOGG1CA1 | |
| SCHEMBL22341059 | 0.71 | CES2 (0.48) | CES2CES1RECQLOGG1CA1 | |
| Hydrochloric Acid SCHEMBL4372828 | 0.70 | CES2 (0.59) | CES2CES1RECQLOGG1CA1 | |
| Hydrochloric Acid SCHEMBL5283915 | 0.70 | CES2 (0.59) | CES2CES1RECQLOGG1CA1 | |
| Formic Acid SCHEMBL27583412 | 0.70 | CYP2A6 (0.57) | CES2CES1OGG1CA1CA2 | |
| SCHEMBL2712830 | 0.70 | CES2 (0.46) | CES2CES1RECQLOGG1CA1 | |
| SCHEMBL2712831 | 0.70 | CES2 (0.46) | CES2CES1RECQLOGG1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593230-B | Cathepsin cysteine protease inhibitors | 默沙东公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-105593230-A | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME | 2016-05-18 | — | — | CN | disclosed |