Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 13/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739068 | 1.00 | ACACB (0.50) | ACACBMEN1KMT2ALMNAMAPT | |
| SCHEMBL28739144 | 0.93 | ACACB (0.48) | ACACBMEN1KMT2ALMNAMAPT | |
| SCHEMBL29644413 | 0.93 | ACACB (0.48) | ACACBMEN1KMT2ALMNAMAPT | |
| SCHEMBL28739024 | 0.90 | ACACB (0.46) | ACACBMEN1KMT2ALMNAMAPT | |
| SCHEMBL29644350 | 0.90 | ACACB (0.46) | ACACBMEN1KMT2ALMNAMAPT | |
| SCHEMBL28739185 | 0.86 | ACACB (0.53) | ACACBMEN1KMT2AADORA1 | |
| SCHEMBL29644415 | 0.86 | ACACB (0.53) | ACACBMEN1KMT2AADORA1 | |
| SCHEMBL28739132 | 0.82 | KEAP1 (0.44) | MEN1KMT2ALMNA | |
| SCHEMBL29644302 | 0.82 | KEAP1 (0.44) | MEN1KMT2ALMNA | |
| SCHEMBL28738983 | 0.81 | FFAR1 (0.51) | ACACBTNFNOD2NOD1 |
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 |