Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830491 | 1.00 | TRPA1 (0.41) | TRPA1ALDH1A1LMNAHSD17B10GSR | |
| SCHEMBL6520180 | 0.91 | TRPA1 (0.44) | TRPA1ALDH1A1LMNAHSD17B10GSR | |
| SCHEMBL19094051 | 0.87 | TRPA1 (0.46) | TRPA1ALDH1A1LMNAHSD17B10GSR | |
| SCHEMBL1507699 | 0.86 | TRPA1 (0.48) | TRPA1ALDH1A1LMNAGSRHRH1 | |
| SCHEMBL1546696 | 0.86 | TRPA1 (0.48) | TRPA1ALDH1A1LMNAGSRHRH1 | |
| SCHEMBL8274952 | 0.86 | TRPA1 (0.48) | TRPA1ALDH1A1LMNAGSRHRH1 | |
| SCHEMBL18098106 | 0.85 | TRPA1 (0.44) | TRPA1ALDH1A1LMNAHSD17B10GSR | |
| SCHEMBL1144368 | 0.83 | LMNA (0.47) | TRPA1ALDH1A1LMNAHSD17B10HRH1 | |
| SCHEMBL22808422 | 0.83 | POLB (0.46) | TRPA1ALDH1A1LMNA | |
| SCHEMBL821043 | 0.83 | POLB (0.46) | TRPA1ALDH1A1LMNA |
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-114957304-B | Chiral 1, 5-diborane compound and synthetic method and application thereof | 浙江大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |