Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4768159 | 0.83 | CES2 (0.50) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL4768154 | 0.83 | CES2 (0.50) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL4767600 | 0.80 | CES2 (0.43) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL4767593 | 0.80 | CES2 (0.43) | CES2CES1HCAR1AKR1C2SLC6A3 | |
| SCHEMBL8895296 | 0.80 | CES2 (0.57) | CES2CES1AKR1C2ALDH1A1AKR1C3 | |
| SCHEMBL7942173 | 0.78 | ALDH1A1 (0.56) | CES2CES1AKR1C2ALDH1A1HTT | |
| SCHEMBL8893826 | 0.74 | CES2 (0.55) | CES2CES1SLC6A3ALDH1A1HTT | |
| SCHEMBL2096388 | 0.72 | CES2 (0.46) | CES2CES1HCAR1SLC6A3HCAR2 | |
| SCHEMBL4414671 | 0.72 | CES2 (0.75) | CES2CES1HCAR1SLC6A3HCAR2 | |
| SCHEMBL157714 | 0.71 | HCAR1 (0.73) | CES2CES1HCAR1HCAR2ALDH1A1 |
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-5670531-A | ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS | SOCIETE CIVILE BIOPROJET (FR) | 1997-09-23 | — | — | US | disclosed |