Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | DPP3 | Q9NY33 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11254282 | 0.95 | ACE (0.51) | ACELMNASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL11262324 | 0.94 | ACE (0.57) | ACELMNASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL683545 | 0.89 | ACE (0.60) | ACELMNASMN1; SMN2CYP2C19BCHE | |
| SCHEMBL7329131 | 0.89 | ACE (0.72) | ACELMNASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL11256646 | 0.85 | ACE (0.56) | ACELMNASMN1; SMN2CYP2C19BCHE | |
| SCHEMBL7329431 | 0.81 | ACE (0.65) | ACELMNASMN1; SMN2CYP2C19BCHE | |
| SCHEMBL7321737 | 0.80 | ACE (0.70) | ACELMNASMN1; SMN2CYP2C19BCHE | |
| SCHEMBL7332314 | 0.80 | ACE (0.72) | ACELMNACYP2C19BCHEDPP3 | |
| SCHEMBL683539 | 0.80 | ACE (0.72) | ACELMNACYP2C19BCHEDPP3 | |
| SCHEMBL11292868 | 0.80 | ACE (0.69) | ACELMNASMN1; SMN2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0049506-A1 | N-carboxyalkyl dipeptides, a process for preparing and a pharmaceutical composition comprising the same | MERCK & CO. INC. (US) | 1982-04-14 | — | — | EP | disclosed |