Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29135362 | 0.85 | BTK (0.55) | BTKLMNASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL30679193 | 0.83 | BTK (0.54) | BTKLMNASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL29135361 | 0.83 | TDO2 (0.44) | BTKTDO2LMNAALDH1A1KDM4E | |
| SCHEMBL29135374 | 0.83 | TDO2 (0.39) | BTKTDO2LMNASMN1; SMN2NPC1 | |
| SCHEMBL30009135 | 0.83 | SGK1 (0.40) | BTKTDO2LMNANPC1ALDH1A1 | |
| SCHEMBL30007897 | 0.83 | TDO2 (0.44) | BTKTDO2LMNAALDH1A1KDM4E | |
| SCHEMBL29135368 | 0.83 | SGK1 (0.40) | BTKTDO2LMNANPC1ALDH1A1 | |
| SCHEMBL30008895 | 0.83 | TDO2 (0.39) | BTKTDO2LMNANPC1ALDH1A1 | |
| SCHEMBL30679191 | 0.82 | ALDH1A1 (0.47) | TDO2LMNASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL21644728 | 0.80 | CCR4 (0.45) | TDO2SMN1; SMN2NPC1ALDH1A1KDM4E |
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 |