Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2959218 | 0.81 | CES1 (0.46) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL2959216 | 0.81 | CES1 (0.46) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL27781879 | 0.81 | CES1 (0.41) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL4817307 | 0.79 | CES1 (0.40) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL1791466 | 0.79 | CYP3A4 (0.52) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL27912978 | 0.79 | CES1 (0.40) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL27912958 | 0.79 | CES1 (0.40) | CES1CES2AKR1B1TP53TRPA1 | |
| SCHEMBL27881586 | 0.79 | ABAT (0.41) | HDAC6 | |
| SCHEMBL28621643 | 0.79 | MEN1 (0.51) | CES1CES2TP53MEN1KMT2A | |
| SCHEMBL5676720 | 0.78 | CES2 (0.39) | CES1CES2AKR1B1TP53TRPA1 |
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-2043644-A1 | NF- B INHIBITOR | Otsuka Pharmaceutical Co., Ltd. (JP) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010601-A1 | NF- ϰB INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-24 | — | — | WO | disclosed |