Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475903 | 0.89 | PLK1 (0.46) | ALDH1A1CYP1A2CYP3A4KMT2ALMNA | |
| SCHEMBL9476928 | 0.89 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT | |
| SCHEMBL9475499 | 0.86 | PPARA (0.50) | ALDH1A1L3MBTL1CYP1A2CYP3A4LMNA | |
| SCHEMBL9475925 | 0.85 | MAPT (0.43) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9475755 | 0.84 | NPC1 (0.51) | ALDH1A1MAPTCYP2C9HDAC3LMNA | |
| SCHEMBL27916287 | 0.83 | CES1 (0.56) | ALDH1A1MAPTKMT2ARECQLTSHR | |
| SCHEMBL9475911 | 0.82 | MAPT (0.50) | ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT | |
| SCHEMBL7387122 | 0.81 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2CYP3A4MAPT | |
| SCHEMBL9475612 | 0.81 | TP53 (0.51) | MAPK1TSHR | |
| SCHEMBL20325777 | 0.80 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1CYP1A2CYP3A4KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5243066-A | ALKYL 2-ARYL-2,2-DIALKOXYACETATES, THE PREPARATION THEREOF AND A METHOD OF USING THEM FOR PREPARING ARYLGLYOXYLIC ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | disclosed |