Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL30007998 | 0.85 | MAPT (0.35) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL30008288 | 0.83 | RXRA (0.43) | NPC1RAB9ALMNADHODHSMN1; SMN2 | |
| SCHEMBL30008279 | 0.83 | MAPT (0.40) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL29135371 | 0.83 | MAPT (0.40) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL29135366 | 0.83 | RXRA (0.43) | NPC1RAB9ALMNADHODHSMN1; SMN2 | |
| SCHEMBL30008895 | 0.76 | TDO2 (0.39) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL30009135 | 0.74 | SGK1 (0.40) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL29135368 | 0.74 | SGK1 (0.40) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL30679191 | 0.73 | ALDH1A1 (0.47) | MAPTNPC1RAB9AMEN1GAA | |
| SCHEMBL30008462 | 0.72 | BTK (0.52) | MAPTNPC1RAB9AMEN1GAA |
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-115197138-B | Preparation method of isoquinoline derivative | 广东工业大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115197138-A | Preparation method of isoquinoline derivative | 广东工业大学 | 2022-10-18 | — | — | CN | disclosed |