Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 4/20 | 0.47 |
| ▸ | GHSR | Q92847 | 7/20 | 0.44 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29560869 | 0.90 | ACE (0.56) | ACEGHSRUCHL1GPR119 | |
| SCHEMBL605316 | 0.90 | ACE (0.56) | ACEGHSRUCHL1GPR119 | |
| SCHEMBL14744581 | 0.90 | ACE (0.56) | ACEGHSRUCHL1GPR119 | |
| SCHEMBL30310636 | 0.90 | ACE (0.56) | ACEGHSRUCHL1GPR119 | |
| SCHEMBL18066415 | 0.90 | ACE (0.56) | ACEGHSRUCHL1GPR119 | |
| Cyclohexylamine SCHEMBL9588867 | 0.88 | ACE (0.50) | ACECYP2D6KEAP1 | |
| Cyclohexylamine SCHEMBL9588251 | 0.82 | ACE (0.49) | ACEGHSR | |
| SCHEMBL18787606 | 0.82 | GHSR (0.47) | ACEGHSRPRMT5WDR77 | |
| SCHEMBL6608146 | 0.82 | GHSR (0.47) | ACEGHSRPRMT5WDR77 | |
| SCHEMBL6608138 | 0.79 | GHSR (0.46) | ACEGHSRPRMT5WDR77 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012091-A1 | D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES | Gyógyszerkutató Intézet Kft. (HU) | 1993-06-24 | — | — | WO | disclosed |