Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.60 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.54 |
| ▸ | TUBB | P07437 | 1/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.54 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.54 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.54 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.54 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29269448 | 1.00 | TRPA1 (0.60) | TRPA1MTNR1APDCD1CD274TUBB4A | |
| SCHEMBL29269302 | 0.90 | TRPA1 (0.60) | TRPA1MTNR1APDCD1CD274XDH | |
| SCHEMBL30996897 | 0.90 | TRPA1 (0.60) | TRPA1MTNR1APDCD1CD274XDH | |
| SCHEMBL30996903 | 0.88 | ALDH1A1 (0.64) | TRPA1MTNR1APDCD1CD274ADAMTS5 | |
| SCHEMBL30996899 | 0.88 | TRPA1 (0.58) | TRPA1MTNR1APDCD1CD274XDH | |
| SCHEMBL29269311 | 0.88 | ALDH1A1 (0.64) | TRPA1MTNR1APDCD1CD274ADAMTS5 | |
| SCHEMBL29269319 | 0.88 | TRPA1 (0.58) | TRPA1MTNR1APDCD1CD274XDH | |
| SCHEMBL5702556 | 0.88 | APP (0.65) | TRPA1MTNR1AALDH1A1HPGDHTT | |
| SCHEMBL5702554 | 0.88 | APP (0.65) | TRPA1MTNR1AALDH1A1HPGDHTT | |
| SCHEMBL2699064 | 0.86 | ALDH1A1 (0.66) | PDCD1CD274ADAMTS5ALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118307456-A | Coniferyl aldehyde derivative containing dithioacetal unit, and preparation method and application thereof | 贵州大学 | 2024-07-09 | — | — | CN | disclosed |