Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | SGK1 | O00141 | 4/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL29135361 | 1.00 | TDO2 (0.44) | TDO2IDO1CTSSCTSKSYK | |
| SCHEMBL30008462 | 0.83 | BTK (0.52) | TDO2BTKKDM4EALDH1A1GAA | |
| SCHEMBL30009135 | 0.78 | SGK1 (0.40) | TDO2BTKDHODHSGK1KDM4E | |
| SCHEMBL30008895 | 0.78 | TDO2 (0.39) | TDO2BTKDHODHKDM4EALDH1A1 | |
| SCHEMBL29135368 | 0.78 | SGK1 (0.40) | TDO2BTKDHODHSGK1KDM4E | |
| SCHEMBL29135374 | 0.78 | TDO2 (0.39) | TDO2BTKDHODHKDM4EALDH1A1 | |
| SCHEMBL30679191 | 0.77 | ALDH1A1 (0.47) | TDO2SGK1KDM4EALDH1A1GAA | |
| SCHEMBL30008279 | 0.74 | MAPT (0.40) | TDO2BTKDHODHTRPV1KDM4E | |
| SCHEMBL29135371 | 0.74 | MAPT (0.40) | TDO2BTKDHODHTRPV1KDM4E | |
| SCHEMBL30008288 | 0.74 | RXRA (0.43) | DHODHKDM4EALDH1A1LMNAKIF11 |
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 |