Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 5/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | ECE1 | P42892 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5722976 | 1.00 | CCR4 (0.45) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL5420131 | 1.00 | CCR4 (0.45) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL5406228 | 0.90 | MMP1 (0.49) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL6979587 | 0.90 | MMP1 (0.49) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL7145985 | 0.84 | MMP9 (0.47) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL5415716 | 0.84 | MMP9 (0.47) | CCR4MMP9ELANEAKR1C3AKR1C1 | |
| SCHEMBL5415765 | 0.80 | MMP1 (0.47) | MMP9MMP1MMEACEECE1 | |
| SCHEMBL6968000 | 0.80 | MMP1 (0.47) | MMP9MMP1MMEACEECE1 | |
| SCHEMBL7143953 | 0.79 | ECE1 (0.47) | CCR4ELANEAKR1C3MMEACE | |
| SCHEMBL7143957 | 0.79 | ECE1 (0.47) | CCR4ELANEAKR1C3MMEACE |
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 2 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 |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |