Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 7/20 | 0.37 |
| ▸ | ECE1 | P42892 | 7/20 | 0.35 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7149129 | 0.86 | ECE1 (0.48) | CCR4ECE1MMEACELMNA | |
| SCHEMBL7166024 | 0.82 | CCR4 (0.51) | CCR4LMNAHPGDAKR1C3HCRTR1 | |
| SCHEMBL7145844 | 0.80 | ECE1 (0.39) | CCR4ECE1MMEACEAKR1C3 | |
| SCHEMBL5402095 | 0.77 | AKR1C3 (0.47) | CCR4ECE1MMEACELMNA | |
| SCHEMBL6978080 | 0.77 | AKR1C3 (0.47) | CCR4ECE1MMEACELMNA | |
| SCHEMBL7142185 | 0.74 | ECE1 (0.41) | CCR4ECE1MMEACELMNA | |
| SCHEMBL7145841 | 0.74 | ECE1 (0.41) | CCR4ECE1MMEACEAKR1C3 | |
| SCHEMBL7149863 | 0.74 | ECE1 (0.47) | CCR4ECE1MMEACEAKR1C3 | |
| SCHEMBL6968343 | 0.73 | MME (0.43) | CCR4ECE1MMEACELMNA | |
| SCHEMBL6968348 | 0.73 | MME (0.43) | CCR4ECE1MMEACELMNA |
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 |