Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213724 | 0.93 | KMT2A (0.50) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL15258811 | 0.88 | KMT2A (0.46) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL7288198 | 0.85 | CYP1A2 (0.48) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL7212419 | 0.83 | PIN1 (0.46) | KMT2AMAPTMEN1CYP2C19HIF1A | |
| SCHEMBL28721298 | 0.81 | EDNRB (0.47) | KMT2AKCNN4CES1CYP1A2CYP2D6 | |
| SCHEMBL25432602 | 0.80 | KMT2A (0.48) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL4366561 | 0.80 | KMT2A (0.48) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL2570877 | 0.79 | CYP1A2 (0.44) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| Ammonia Solution, Strong SCHEMBL5356621 | 0.79 | KMT2A (0.47) | KMT2AKCNN4CES1HDAC3HDAC4 | |
| SCHEMBL1527235 | 0.79 | KMT2A (0.47) | KMT2AKCNN4CES1HDAC3HDAC4 |
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 | claimed |
| 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 |