Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 8/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11475632 | 0.82 | TDP1 (0.40) | APEX1NOS3NOS1NOS2CES1 | |
| SCHEMBL11143545 | 0.79 | NOS3 (0.48) | NOS3NOS1NOS2CES1CES2 | |
| SCHEMBL3874809 | 0.77 | NOS3 (0.46) | NOS3NOS1NOS2CES1CES2 | |
| SCHEMBL26287322 | 0.77 | CES1 (0.50) | NOS3NOS1NOS2CES1CES2 | |
| SCHEMBL5127159 | 0.75 | APEX1 (0.68) | APEX1ALDH1A1NPSR1ESR1LMNA | |
| SCHEMBL28288932 | 0.74 | CES2 (0.52) | CES1CES2ALDH1A1ESR1SMN1; SMN2 | |
| Acetone SCHEMBL9511697 | 0.74 | CES1 (0.45) | APEX1CES1CES2FAAHCA2 | |
| SCHEMBL7400053 | 0.74 | FAAH (0.44) | APEX1CES1CES2FAAHCA2 | |
| SCHEMBL52570 | 0.73 | CA2 (0.52) | CES1CES2FAAHCA2ALDH1A1 | |
| SCHEMBL11249064 | 0.73 | CES1 (0.33) | APEX1CES1CES2FAAHCA2 |
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 4 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 |
| EP-0002219-B1 | MEDICINES WITH SULFUR CONTAINING ESTERS, AND THEIR PREPARATION | Troponwerke GmbH & Co. KG (DE) | 1980-12-10 | — | — | EP | disclosed |
| EP-0002219-A1 | Medicines with sulfur containing esters, and their preparation | Troponwerke GmbH & Co. KG (DE) | 1979-06-13 | — | — | EP | disclosed |