Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 10/20 | 0.56 |
| ▸ | MME | P08473 | 2/20 | 0.56 |
| ▸ | ACE | P12821 | 2/20 | 0.56 |
| ▸ | CCR4 | P51679 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7144182 | 0.88 | ECE1 (0.49) | ECE1MMEACECCR4AKR1C3 | |
| SCHEMBL7149831 | 0.85 | ECE1 (0.55) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7149863 | 0.84 | ECE1 (0.47) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7134758 | 0.84 | ECE1 (0.63) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7135953 | 0.84 | ECE1 (0.63) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7135937 | 0.84 | ECE1 (0.63) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7149129 | 0.84 | ECE1 (0.48) | ECE1MMEACECCR4HCRTR1 | |
| SCHEMBL7149826 | 0.83 | ECE1 (0.56) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7139036 | 0.81 | ECE1 (0.56) | ECE1MMEACECCR4ALDH1A1 | |
| SCHEMBL7135704 | 0.81 | ECE1 (0.69) | ECE1MMEACECCR4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |