Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.68 |
| ▸ | CES2 | O00748 | 7/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21582208 | 0.82 | CES1 (0.65) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL109416 | 0.81 | — | — | |
| SCHEMBL21556311 | 0.81 | CES1 (0.56) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL31086745 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL6897625 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL15389508 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL9057312 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL31251312 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL31099340 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 | |
| SCHEMBL31086928 | 0.79 | CES1 (0.94) | CES1CES2CA1ALDH1A1TP53 |
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-2152692-B1 | COMPOUNDS WITH ANTI-CANCER ACTIVITY | CANBAS CO LTD (JP) | 2016-06-15 | — | — | EP | disclosed |