Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.33 |
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 | 0.80 | CES2 (0.38) | CES1CES2TSHRFAAH | |
| SCHEMBL20499819 | 0.79 | CES2 (0.48) | CES1CES2ALDH1A1TSHRFAAH | |
| SCHEMBL7576585 | 0.78 | CES1 (0.31) | CES1TSHR | |
| SCHEMBL11472884 | 0.74 | CES1 (0.44) | CES1CES2ALDH1A1HPGDGMNN | |
| SCHEMBL17359979 | 0.73 | CES1 (0.33) | CES1CES2GMNNTP53POLB | |
| SCHEMBL11249064 | 0.71 | CES1 (0.33) | CES1CES2TP53FAAH | |
| SCHEMBL2472572 | 0.71 | HSD17B10 (0.67) | ALDH1A1GMNNTP53POLBMAPT | |
| SCHEMBL16330073 | 0.70 | FAAH (0.61) | CES1CES2ALDH1A1HPGDGMNN | |
| SCHEMBL11255111 | 0.70 | CES1 (0.33) | CES1CES2 | |
| SCHEMBL11853902 | 0.70 | HSD17B10 (0.64) | ALDH1A1GMNNTP53POLBMAPT |
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 |