Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739132 | 1.00 | KEAP1 (0.44) | KEAP1NFE2L2HPGDALDH1A1TSHR | |
| SCHEMBL29644435 | 0.93 | KMT2A (0.45) | HPGDALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL28739006 | 0.93 | KMT2A (0.45) | HPGDALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL29644451 | 0.90 | HPGD (0.53) | KEAP1NFE2L2HPGDALDH1A1MEN1 | |
| SCHEMBL28738977 | 0.90 | HPGD (0.53) | KEAP1NFE2L2HPGDALDH1A1MEN1 | |
| SCHEMBL29644419 | 0.86 | NFE2L2 (0.49) | KEAP1NFE2L2HPGDALDH1A1POLB | |
| SCHEMBL28739160 | 0.86 | NFE2L2 (0.49) | KEAP1NFE2L2HPGDALDH1A1POLB | |
| SCHEMBL29644465 | 0.82 | ACACB (0.50) | MEN1KMT2ALMNA | |
| SCHEMBL28739068 | 0.82 | ACACB (0.50) | MEN1KMT2ALMNA | |
| SCHEMBL29644336 | 0.81 | FFAR1 (0.50) | KEAP1NFE2L2HPGDALDH1A1MEN1 |
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 |