Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28148153 | 0.75 | PDE10A (0.44) | PDE10ACYP11B1CYP11B2CYP19A1CYP2C9 | |
| SCHEMBL16229344 | 0.64 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMSAE1UBA2 | |
| SCHEMBL28006249 | 0.64 | CCR1 (0.44) | ALDH1A1 | |
| SCHEMBL2325030 | 0.64 | DEGS1 (0.48) | PIM1ALDH1A1KDM4E | |
| SCHEMBL27585500 | 0.62 | CYP11B1 (0.51) | PDE10ACYP11B1CYP11B2CYP19A1CYP2C9 | |
| SCHEMBL7837599 | 0.61 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP19A1CYP2C9FTO | |
| SCHEMBL28040110 | 0.61 | ALDH1A1 (0.51) | CYP11B1CYP11B2MPOALDH1A1CYP2D6 | |
| SCHEMBL1347929 | 0.60 | ALDH1A1 (0.56) | CYP2C9ALDH1A1SAE1UBA2KDM4E | |
| SCHEMBL9558377 | 0.60 | ERN1 (0.54) | CYP2C9ALDH1A1SAE1UBA2KDM4E | |
| SCHEMBL12869628 | 0.60 | LTA4H (0.56) | CYP11B1CYP11B2CYP2C9ALDH1A1SAE1 |
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-106817900-A | Novel naphthyridines and isoquinolin and its purposes as CDK8/19 inhibitor | 默克专利有限公司 | 2017-06-09 | — | — | CN | disclosed |