Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.50 |
| ▸ | KMO | O15229 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.46 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768689 | 0.89 | CYP2A6 (0.45) | MKNK1MKNK2KMOCYP19A1CES1 | |
| SCHEMBL5296166 | 0.84 | DAGLA (0.57) | CES1DAGLAALDH1A1KDM4ELMNA | |
| SCHEMBL30528382 | 0.75 | HCAR2 (0.43) | CES1PIM1PIM2DAGLAALDH1A1 | |
| SCHEMBL3718120 | 0.75 | ENPP3 (0.54) | KMODAGLAALDH1A1KDM4EDHODH | |
| SCHEMBL9346559 | 0.75 | CYP2A6 (0.54) | MKNK1MKNK2CYP19A1ALDH1A1CYP2A6 | |
| SCHEMBL13984428 | 0.75 | HSP90AA1 (0.53) | MKNK1MKNK2CYP19A1ALDH1A1GAA | |
| SCHEMBL363026 | 0.74 | KMO (0.59) | MKNK1MKNK2KMOCYP19A1PIM1 | |
| SCHEMBL27768494 | 0.74 | DAGLA (0.57) | CES1DAGLAALDH1A1RAB9A | |
| SCHEMBL1815822 | 0.73 | CHRNB2 (0.61) | MKNK1MKNK2ALDH1A1KDM4ELMNA | |
| SCHEMBL12571348 | 0.73 | ALDH1A1 (0.54) | MKNK1MKNK2KMOPIM1PIM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1774435-A | 5-membered heterocyclic derivative | DAIICHI SEIYAKU CO (JP) | 2006-05-17 | — | — | CN | disclosed |