Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28865322 | 0.90 | KCNH2 (0.39) | MAPK1OPRK1SLC6A1SLC6A11SLC6A13 | |
| SCHEMBL28106078 | 0.90 | KCNH2 (0.39) | MAPK1OPRK1SLC6A1SLC6A11SLC6A13 | |
| SCHEMBL3316007 | 0.81 | MAPK1 (0.39) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| SCHEMBL3316003 | 0.81 | MAPK1 (0.39) | MAPK1OPRK1SLC6A1SLC6A11TSHR | |
| SCHEMBL27990542 | 0.81 | BTK (0.41) | SMN1; SMN2KDM4EMAPTBTKEPHX1 | |
| SCHEMBL28615966 | 0.80 | EPHX1 (0.44) | TSHREPHX1SSTR4 | |
| SCHEMBL27805832 | 0.79 | GAA (0.42) | SMN1; SMN2KDM4EMAPTKMT2AEPHX1 | |
| Ammonia Solution, Strong SCHEMBL28219804 | 0.78 | GAA (0.41) | SMN1; SMN2KDM4EMAPTKMT2AEPHX1 | |
| Water SCHEMBL28072177 | 0.78 | GAA (0.41) | SMN1; SMN2KDM4EMAPTKMT2AEPHX1 | |
| SCHEMBL27886443 | 0.77 | EPHX1 (0.33) | BTKEPHX1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104428299-B | 5- azaindazole compounds and its application method | 霍夫曼-拉罗奇有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-104507933-B | Amido quinazoline and Pyridopyrimidine derivatives | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |