Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.33 |
| ▸ | CES2 | O00748 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4904218 | 0.76 | CES2 (0.38) | CES1CES2 | |
| SCHEMBL20499819 | 0.74 | CES2 (0.48) | CES1CES2 | |
| SCHEMBL11255112 | 0.74 | CES1 (0.37) | CES1CES2CA1 | |
| SCHEMBL9323099 | 0.72 | AKR1B1 (0.50) | CES1CES2 | |
| Isobutyramide SCHEMBL20475466 | 0.71 | CA1 (0.41) | CES1CES2CA2CA1 | |
| SCHEMBL11243791 | 0.70 | CES1 (0.38) | CES1CES2 | |
| SCHEMBL6925490 | 0.70 | — | — | |
| Sulfur Dioxide SCHEMBL28121264 | 0.69 | CES2 (0.33) | CES1CES2 | |
| SCHEMBL4401256 | 0.69 | AKR1B1 (0.56) | — | |
| SCHEMBL148638 | 0.68 | TSHR (0.40) | CES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4323517-A | ANTIPHLOGISTIC AGENTS | TROPONWERKE GMBH & CO. KG (DE) | 1982-04-06 | — | — | US | disclosed |
| US-4246278-A | ANTIINFLAMMATORY SULFUR-CONTAINING ORGANIC ACIDS OR ESTERS OR THIOATES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |