Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | PLA2G6 | O60733 | 2/20 | 0.37 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9864442 | 1.00 | CYP3A4 (0.45) | CYP3A4FASNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10339114 | 0.78 | AKT1 (0.49) | CYP3A4 | |
| SCHEMBL8352429 | 0.75 | CYP3A4 (0.60) | CYP3A4FASNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL996908 | 0.74 | L3MBTL1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31473476 | 0.71 | CYP1A2 (0.47) | SMN1; SMN2 | |
| SCHEMBL9864631 | 0.71 | CYP1A2 (0.47) | SMN1; SMN2 | |
| SCHEMBL20266275 | 0.69 | FASN (0.49) | CYP3A4FASNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27726695 | 0.69 | FASN (0.46) | CYP3A4FASNSMN1; SMN2PLA2G6PLA2G4A | |
| SCHEMBL60686 | 0.68 | FASN (0.45) | CYP3A4FASNSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7757693 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4983766-A | Chemical intermediates for optically active secondary alcohols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-08 | — | — | US | disclosed |
| US-4812476-A | SECONDARY ALCOHOLS FROM ALDEHYDE AND 3-HYDROXYBUTYRIC ACID | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-03-14 | — | — | US | disclosed |
| EP-0244143-A2 | Substituted dioxanones and dioxinones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-04 | — | — | EP | disclosed |