Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | 0.77 | CES2 (0.38) | CES1FAAHCES2 | |
| SCHEMBL20499819 | 0.76 | CES2 (0.48) | CES1FAAHCES2 | |
| SCHEMBL11249066 | 0.73 | APEX1 (0.37) | CES1FAAHCES2APEX1CA2 | |
| SCHEMBL11243791 | 0.71 | CES1 (0.38) | CES1FAAHCES2TP53 | |
| SCHEMBL5127159 | 0.71 | APEX1 (0.68) | APEX1ESR1 | |
| Acetone SCHEMBL9511697 | 0.70 | CES1 (0.45) | CES1FAAHCES2APEX1CA2 | |
| SCHEMBL7400053 | 0.70 | FAAH (0.44) | CES1FAAHCES2APEX1CA2 | |
| SCHEMBL52570 | 0.69 | CA2 (0.52) | CES1FAAHCES2CA2TP53 | |
| SCHEMBL11255111 | 0.68 | CES1 (0.33) | CES1CES2CA2 | |
| Alcohol SCHEMBL8778843 | 0.68 | CA2 (0.46) | CES1FAAHCES2CA2TP53 |
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 |