Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21539010 | 0.87 | CES2 (0.47) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL8150591 | 0.84 | ALDH1A1 (0.40) | CES2CES1ALDH1A1HSD11B1 | |
| SCHEMBL1144009 | 0.73 | CES2 (0.47) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL3017645 | 0.73 | CES2 (0.47) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL1144768 | 0.73 | — | — | |
| SCHEMBL8448075 | 0.73 | — | — | |
| SCHEMBL8447974 | 0.73 | — | — | |
| SCHEMBL1144614 | 0.69 | — | — | |
| SCHEMBL8393970 | 0.69 | CES2 (0.38) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL2189503 | 0.69 | — | — |
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-3221304-B1 | NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 | LILLY CO ELI (US) | 2019-07-24 | — | — | EP | disclosed |