Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11281241 | 1.00 | CES2 (0.47) | CES2CES1KEAP1ALOX5CYP2C19 | |
| Hydrochloric Acid SCHEMBL11798674 | 0.98 | CES2 (0.46) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL10493058 | 0.82 | ALOX5 (0.45) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL11534783 | 0.81 | ALOX5 (0.44) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL10674815 | 0.80 | ALOX5 (0.43) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL11288569 | 0.80 | ALOX5 (0.43) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL2778118 | 0.79 | CES2 (0.41) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL11496777 | 0.79 | LMNA (0.46) | CES2CES1KEAP1ALOX5CYP2C19 | |
| SCHEMBL9326172 | 0.78 | ALOX5 (0.42) | CES2CES1KEAP1ALOX5CYP2C19 | |
| Hydrochloric Acid SCHEMBL1696069 | 0.77 | LMNA (0.45) | CES2CES1KEAP1ALOX5CYP2C19 |
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-4329285-A | REACTING WITH ACETOFORMIC ANHYDRIDE | C R A F SUD (IT) | 1982-05-11 | — | — | US | disclosed |