Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.66 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | DPP3 | Q9NY33 | 4/20 | 0.52 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.50 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.50 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
| ▸ | ITGAL | P20701 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL683539 | 0.93 | ACE (0.72) | ACEBCHEDPP3NTSR2NTSR1 | |
| SCHEMBL7332314 | 0.93 | ACE (0.72) | ACEBCHEDPP3NTSR2NTSR1 | |
| SCHEMBL29498130 | 0.87 | NTSR2 (0.57) | ACEBCHEDPP3NTSR2NTSR1 | |
| SCHEMBL10781418 | 0.87 | ACE (0.64) | ACEBCHEDPP3NTSR2NTSR1 | |
| SCHEMBL31127559 | 0.86 | GHSR (0.60) | ACEBCHEDPP3NTSR2NTSR1 | |
| SCHEMBL683545 | 0.86 | ACE (0.60) | ACEBCHEDPP3CYP2C19 | |
| SCHEMBL7325826 | 0.84 | ACE (0.61) | ACEBCHEDPP3CYP2C19DPP4 | |
| SCHEMBL7325822 | 0.84 | ACE (0.61) | ACEBCHEDPP3CYP2C19DPP4 | |
| SCHEMBL683834 | 0.84 | ACE (0.84) | ACE | |
| SCHEMBL30866236 | 0.84 | NTSR2 (0.60) | ACEDPP3NTSR2NTSR1SORT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |