Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | ACE | P12821 | 2/20 | 0.45 |
| ▸ | ECE1 | P42892 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148996 | 1.00 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL6980507 | 0.88 | MME (0.49) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL5409165 | 0.88 | MME (0.49) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL7166230 | 0.88 | MME (0.49) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL7148874 | 0.88 | MME (0.42) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL7141875 | 0.88 | MME (0.42) | ALDH1A1L3MBTL1MEN1KMT2AMME | |
| SCHEMBL7137614 | 0.85 | MME (0.42) | ALDH1A1KMT2AMMEACEECE1 | |
| SCHEMBL7145366 | 0.85 | MME (0.42) | ALDH1A1KMT2AMMEACEECE1 | |
| SCHEMBL5415726 | 0.83 | AKR1C3 (0.54) | ALDH1A1L3MBTL1MMEACEECE1 | |
| SCHEMBL6945225 | 0.83 | AKR1C3 (0.54) | ALDH1A1L3MBTL1MMEACEECE1 |
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 |