Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL20139087 | 0.89 | ELANE (0.53) | MAPK8ELANEALDH1A1MCL1AKR1C3 | |
| SCHEMBL24200445 | 0.87 | MAPK8 (0.53) | MAPK8ELANEALDH1A1PTGS2 | |
| SCHEMBL20159077 | 0.85 | LMNA (0.55) | ELANEAKR1C3AKR1C2PTGS2 | |
| SCHEMBL20138831 | 0.79 | CNR1 (0.43) | ELANEALDH1A1 | |
| SCHEMBL24200422 | 0.78 | MAPK8 (0.51) | MAPK8ELANEALDH1A1 | |
| SCHEMBL20138825 | 0.76 | ELANE (0.54) | MAPK8ELANE | |
| SCHEMBL20158841 | 0.74 | ELANE (0.56) | ELANEAKR1C3AKR1C2PTGS2 | |
| SCHEMBL20147125 | 0.72 | P2RX4 (0.50) | ELANEALDH1A1PTGS2 | |
| SCHEMBL20158843 | 0.69 | ELANE (0.43) | ELANEALDH1A1MCL1 | |
| SCHEMBL20158839 | 0.67 | ELANE (0.42) | MAPK8ELANEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018087389-A1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS | MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |