Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 6/20 | 0.61 |
| ▸ | DPP3 | Q9NY33 | 4/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.52 |
| ▸ | ITGAL | P20701 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325826 | 1.00 | ACE (0.61) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL7324326 | 0.92 | ACE (0.55) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL7324321 | 0.92 | ACE (0.55) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL7321737 | 0.91 | ACE (0.70) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL7329431 | 0.90 | ACE (0.65) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL10779309 | 0.85 | ACE (0.59) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL7332773 | 0.84 | ACE (0.66) | ACEDPP3BCHECYP2C19ITGB2 | |
| SCHEMBL7329131 | 0.84 | ACE (0.72) | ACEBCHECYP2C19LMNASMN1; SMN2 | |
| SCHEMBL10779618 | 0.84 | ACE (0.62) | ACEDPP3BCHECYP2C19LMNA | |
| SCHEMBL30051406 | 0.84 | DPP3 (0.58) | ACEDPP3BCHECYP2C19ITGB2 |
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 |