Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.40 |
| ▸ | MME | P08473 | 5/20 | 0.40 |
| ▸ | CPA1 | P15085 | 3/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.40 |
| ▸ | ECE1 | P42892 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL10687059 | 1.00 | ACE (0.40) | ACEMMECPA1ACE2ECE1 | |
| SCHEMBL10506297 | 1.00 | ACE (0.40) | ACEMMECPA1ACE2ECE1 | |
| SCHEMBL11208660 | 0.85 | PPARG (0.40) | MME | |
| SCHEMBL11208659 | 0.85 | PPARG (0.40) | MME | |
| Trifluoroacetic Acid SCHEMBL10444230 | 0.85 | ALDH1A1 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL10444125 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL28515194 | 0.84 | ACE (0.36) | ACEMMECPA1ACE2ECE1 | |
| SCHEMBL25355936 | 0.83 | ACE (0.36) | ACEMMECPA1ACE2ECE1 | |
| SCHEMBL16754914 | 0.83 | ACE (0.36) | ACEMMECPA1ACE2ECE1 | |
| SCHEMBL8896490 | 0.82 | ACE (0.41) | ACEMMECPA1ACE2ECE1 |
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-0291626-A2 | Process for the preparation of optically-active cyanomethyl esters | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-11-23 | — | — | EP | claimed |