Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.60 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.60 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 4/20 | 0.49 |
| ▸ | PRSS8 | Q16651 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PREP | P48147 | 2/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL7321218 | 0.88 | ACE (0.60) | ADORA3ADORA2AADORA2BADORA1ACE | |
| SCHEMBL7326774 | 0.88 | DPP8 (0.70) | DPP4DPP8DPP7ACEPRSS8 | |
| SCHEMBL9040522 | 0.88 | DPP4 (0.67) | DPP4DPP8DPP7ACEPREP | |
| SCHEMBL9040510 | 0.88 | DPP4 (0.67) | DPP4DPP8DPP7ACEPREP | |
| SCHEMBL10619564 | 0.88 | ITGB3 (0.63) | DPP4DPP8DPP7ADORA3ADORA2A | |
| SCHEMBL5971737 | 0.87 | ITGB3 (0.66) | DPP4DPP8DPP7ADORA3ADORA2A | |
| SCHEMBL14673535 | 0.86 | ADORA3 (0.54) | DPP4DPP8ADORA3ADORA2AADORA2B | |
| SCHEMBL20958585 | 0.86 | ADORA3 (0.54) | DPP4DPP8ADORA3ADORA2AADORA2B | |
| SCHEMBL14673533 | 0.86 | ADORA3 (0.54) | DPP4DPP8ADORA3ADORA2AADORA2B | |
| SCHEMBL14673534 | 0.86 | ADORA3 (0.54) | DPP4DPP8ADORA3ADORA2AADORA2B |
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-0083923-A2 | Aminoacyl-containing dipeptide derivatives useful as antihypertensives | MERCK & CO. INC. (US) | 1983-07-20 | — | — | EP | disclosed |