Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 4/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739147 | 0.93 | LMNA (0.37) | LMNAMAPTHPGDKMT2AHDAC6 | |
| SCHEMBL29644375 | 0.92 | KEAP1 (0.45) | KEAP1NFE2L2LMNAMAPTHPGD | |
| SCHEMBL28739089 | 0.92 | KEAP1 (0.45) | KEAP1NFE2L2LMNAMAPTHPGD | |
| SCHEMBL28940331 | 0.90 | LMNA (0.37) | LMNAMAPTHPGDKMT2AHDAC6 | |
| SCHEMBL28739042 | 0.85 | NQO1 (0.46) | KEAP1NFE2L2KMT2ANQO1 | |
| SCHEMBL29644414 | 0.85 | NQO1 (0.46) | KEAP1NFE2L2KMT2ANQO1 | |
| SCHEMBL28739101 | 0.83 | FFAR1 (0.40) | KEAP1NFE2L2LMNAMAPTHPGD | |
| SCHEMBL29644367 | 0.83 | FFAR1 (0.40) | KEAP1NFE2L2LMNAMAPTHPGD | |
| SCHEMBL28739033 | 0.79 | KEAP1 (0.41) | KEAP1NFE2L2NQO1 | |
| SCHEMBL28739006 | 0.78 | KMT2A (0.45) | LMNAMAPTHPGDKMT2AHDAC6 |
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-114507181-B | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-26 | — | — | CN | disclosed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | disclosed |