Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7207409 | 0.90 | NPSR1 (0.36) | NPSR1CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL8670866 | 0.83 | CYP2C19 (0.38) | ALDH1A1LMNATSHRNFKB1CYP2C19 | |
| SCHEMBL7208245 | 0.81 | ALDH1A1 (0.41) | NPSR1ALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL14899074 | 0.78 | CYP2C19 (0.34) | ALDH1A1TSHRNFKB1CYP2C19SMN1; SMN2 | |
| SCHEMBL8411779 | 0.76 | ALDH1A1 (0.35) | ALDH1A1LMNATSHRNFKB1CYP2C19 | |
| SCHEMBL25549209 | 0.74 | DPP4 (0.42) | NPSR1CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL5505300 | 0.74 | SMN1; SMN2 (0.37) | NPSR1CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL9354755 | 0.73 | DPP4 (0.32) | TSHRNFKB1CYP2C19SMN1; SMN2 | |
| SCHEMBL14827615 | 0.72 | TSHR (0.34) | NPSR1CYP3A4MEN1KMT2ATSHR | |
| SCHEMBL7207337 | 0.71 | ALDH1A1 (0.44) | NPSR1ALDH1A1MEN1KMT2ALMNA |
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-6613934-B1 | Enzymatic partial hydrolysis of a diester of malonic acid | DEGUSSA AG (DE) | 2003-09-02 | — | — | US | disclosed |
| EP-0812819-B1 | Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation | DEGUSSA (DE) | 2001-11-28 | — | — | EP | disclosed |
| US-5831119-A | Process for the preparation of aminoacetic acids with a tertiary hydrocarbon radical in the α-position, or their nitriles | HUELS AKTIENGESELLSCHAFT (DE) | 1998-11-03 | — | — | US | disclosed |
| EP-0812819-A2 | Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation | HÜLS AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |