Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 7/20 | 0.33 |
| ▸ | CES2 | O00748 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11255112 | 0.83 | CES1 (0.37) | CES1CES2NOS3NOS1NOS2 | |
| SCHEMBL3869646 | 0.74 | — | — | |
| SCHEMBL9323454 | 0.73 | FFAR3 (0.48) | TDP1CES1CES2 | |
| SCHEMBL723380 | 0.72 | CES1 (0.50) | TDP1CES1CES2KDM4ESMN1; SMN2 | |
| SCHEMBL361586 | 0.71 | SOAT1 (0.36) | CES1CES2KDM4ECA1 | |
| SCHEMBL11251695 | 0.71 | CES1 (0.36) | CES1CES2CA1 | |
| SCHEMBL13149120 | 0.71 | — | — | |
| SCHEMBL9770244 | 0.69 | CES2 (0.54) | TDP1CES1CES2KDM4ESMN1; SMN2 | |
| SCHEMBL1241506 | 0.69 | CES2 (0.54) | TDP1CES1CES2KDM4ESMN1; SMN2 | |
| SCHEMBL11484032 | 0.69 | TDP1 (0.52) | TDP1CES1CES2KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |