Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4605920 | 0.80 | GAA (0.53) | MPO | |
| SCHEMBL2103787 | 0.78 | DPP4 (0.43) | HDAC3HDAC1HDAC2HDAC6CD274 | |
| SCHEMBL17654953 | 0.76 | EPHX2 (0.33) | — | |
| SCHEMBL6180571 | 0.75 | SIGMAR1 (0.50) | — | |
| SCHEMBL28930178 | 0.75 | MPO (0.62) | SCN8AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL10478067 | 0.74 | EPHX2 (0.54) | MPO | |
| SCHEMBL31364605 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL31364603 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL10045086 | 0.71 | SCN8A (0.61) | SCN8AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL10045151 | 0.70 | SCN8A (0.60) | SCN8AHDAC3HDAC1HDAC2HDAC6 |
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-109305942-B | Preparation method and application of 4-imidazolyl-containing glutaminyl cyclase inhibitor | 深圳大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-108912051-B | Glutaminyl cyclase inhibitor containing 4-imidazolyl | 深圳大学 | 2022-04-15 | — | — | CN | disclosed |