Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068010 | 0.85 | CES2 (0.42) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL9710337 | 0.84 | KEAP1 (0.46) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL6227141 | 0.82 | POLB (0.52) | CES2CES1KEAP1MEN1KMT2A | |
| SCHEMBL6223000 | 0.80 | CES2 (0.45) | CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL29463969 | 0.79 | CES2 (0.52) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL29758181 | 0.77 | CES2 (0.68) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL293958 | 0.77 | CES2 (0.68) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL10669043 | 0.76 | ALDH1A1 (0.49) | PARP1SIRT1MEN1KMT2AALDH1A1 | |
| SCHEMBL148542 | 0.75 | KEAP1 (0.53) | CES2CES1DGAT1PARP1KEAP1 | |
| SCHEMBL1436288 | 0.75 | MAPT (0.50) | CES2CES1DGAT1PARP1KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992021668-A1 | BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS | THE BOOTS COMPANY PLC (GB) | 1992-12-10 | — | — | WO | disclosed |