Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL909939 | 1.00 | CES2 (0.59) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL7640853 | 1.00 | CES2 (0.59) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL5393755 | 0.98 | CES2 (0.55) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL874374 | 0.93 | CES2 (0.48) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL7644723 | 0.87 | — | — | |
| SCHEMBL10009844 | 0.81 | CES2 (0.46) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL10009607 | 0.81 | CES2 (0.46) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL10009837 | 0.81 | CES2 (0.46) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL10009603 | 0.81 | CES2 (0.46) | CES2CES1HDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL18473773 | 0.80 | CES2 (0.46) | CES2CES1HDAC8HDAC6SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-6348617-B1 | REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-19 | — | — | US | disclosed |
| EP-0937703-A1 | METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1999-08-25 | — | — | EP | disclosed |