Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4432460 | 0.85 | CYP2D6 (0.48) | CYP2D6LMNAMAPK1SRCCES2 | |
| SCHEMBL28423174 | 0.82 | LMNA (0.43) | CYP2D6LMNAMAPK1KDM4EL3MBTL1 | |
| SCHEMBL31672185 | 0.78 | CYP2D6 (0.42) | CYP2D6LMNAMAPK1SRCCES2 | |
| SCHEMBL28181394 | 0.77 | CYP2A6 (0.39) | LMNACES2CES1KMT2ATSHR | |
| SCHEMBL4365537 | 0.77 | ALDH1A1 (0.48) | CYP2D6LMNAMAPK1KDM4EL3MBTL1 | |
| SCHEMBL3503957 | 0.76 | CYP2D6 (0.41) | CYP2D6LMNAKDM4ESRCKMT2A | |
| SCHEMBL28143011 | 0.76 | CYP2D6 (0.41) | CYP2D6LMNAKDM4ESRCKMT2A | |
| SCHEMBL4361673 | 0.76 | ALDH1A1 (0.47) | CYP2D6LMNAMAPK1KDM4EL3MBTL1 | |
| SCHEMBL1041627 | 0.75 | CYP2D6 (0.50) | CYP2D6LMNAMAPK1KDM4EL3MBTL1 | |
| SCHEMBL8088488 | 0.75 | CYP2D6 (0.50) | CYP2D6LMNAMAPK1KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |