Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR4 | P22455 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.38 |
| ▸ | PDE4A | P27815 | 4/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7650714 | 0.87 | NPC1 (0.42) | FGFR4NPC1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL2170435 | 0.74 | NQO2 (0.45) | NPC1CSNK2A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL1132599 | 0.74 | G6PD (0.54) | NPC1PDE4BPDE4APDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL28110845 | 0.71 | FGFR4 (0.47) | FGFR4PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL666625 | 0.70 | RPS6KB1 (0.47) | PDE4BPDE4APDE4CPDE4DIRAK4 | |
| SCHEMBL15660591 | 0.70 | IMPDH2 (0.51) | RPS6KB1ALDH1A1USP2KDM4E | |
| SCHEMBL31329981 | 0.69 | LCK (0.37) | FGFR4PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL29831692 | 0.68 | EGFR (0.47) | FGFR4KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL24715864 | 0.68 | MAPT (0.44) | NPC1PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL3081479 | 0.67 | — | — |
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-102898417-A | Benzo-hexahydric nitrogenous heterocycle derivative | KBP BIOSCIENCES CO LTD | 2013-01-30 | — | — | CN | disclosed |