Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258485 | 0.77 | KDM4E (0.40) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL3261585 | 0.76 | CYP2C19 (0.36) | CYP2C19CYP2D6SRCLMNATDP1 | |
| SCHEMBL10452869 | 0.73 | CYP2C19 (0.36) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL11766335 | 0.73 | CYP2D6 (0.37) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1047388 | 0.72 | CYP2C19 (0.35) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL8525246 | 0.71 | ALDH1A1 (0.35) | CYP2C19LMNATDP1L3MBTL1HPGD | |
| Formic Acid SCHEMBL1162475 | 0.71 | CYP2D6 (0.35) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1162464 | 0.71 | CYP2C19 (0.35) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL28429021 | 0.69 | CYP2C19 (0.34) | CYP2C19CYP2D6SRCLMNATDP1 | |
| Phosphonic Acid SCHEMBL1162520 | 0.69 | CYP2C19 (0.34) | CYP2C19CYP2D6SRCLMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0498722-B1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-07-30 | — | — | EP | disclosed |