Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGAV | P06756 | 2/20 | 0.32 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23193057 | 0.92 | ELANE (0.35) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL21138197 | 0.87 | ELANE (0.37) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL21137534 | 0.86 | HDAC6 (0.33) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL29293404 | 0.84 | ELANE (0.34) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL23193211 | 0.84 | ELANE (0.34) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL23193189 | 0.83 | ELANE (0.34) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL29293467 | 0.83 | ELANE (0.36) | ELANEHDAC6ITGB3ITGAVITGB5 | |
| SCHEMBL31682827 | 0.83 | ELANE (0.36) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL22618829 | 0.82 | ELANE (0.35) | ELANEHDAC8HDAC6ITGB3ITGAV | |
| SCHEMBL23193147 | 0.81 | ELANE (0.34) | ELANEHDAC8HDAC6ITGB3ITGAV |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019114666-A1 | BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-06-20 | — | — | WO | disclosed |