Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.37 |
| ▸ | CES2 | O00748 | 6/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11468194 | 0.83 | TDP1 (0.39) | CES1CES2NOS3NOS1NOS2 | |
| SCHEMBL11143545 | 0.77 | NOS3 (0.48) | CES1CES2NOS3NOS1NOS2 | |
| SCHEMBL9323099 | 0.76 | AKR1B1 (0.50) | CES1CES2ALDH1A1NPSR1AKR1B1 | |
| SCHEMBL3874809 | 0.75 | NOS3 (0.46) | CES1CES2NOS3NOS1NOS2 | |
| SCHEMBL26287322 | 0.75 | CES1 (0.50) | CES1CES2NOS3NOS1NOS2 | |
| SCHEMBL11255111 | 0.74 | CES1 (0.33) | CES1CES2CA1 | |
| SCHEMBL28288932 | 0.73 | CES2 (0.52) | CES1CES2ALDH1A1AKR1B1 | |
| Sulfur Dioxide SCHEMBL28121264 | 0.73 | CES2 (0.33) | CES1CES2ALDH1A1 | |
| SCHEMBL4401256 | 0.72 | AKR1B1 (0.56) | ALDH1A1NPSR1AKR1B1 | |
| SCHEMBL148638 | 0.72 | TSHR (0.40) | CES1CES2ALDH1A1 |
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 |