Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | F10 | P00742 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28359913 | 0.97 | HDAC1 (0.70) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28363346 | 0.94 | HDAC6 (0.65) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28359918 | 0.87 | HDAC6 (0.61) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28359939 | 0.80 | HDAC6 (0.63) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28359894 | 0.79 | CNR2 (0.61) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL30448561 | 0.79 | CNR2 (0.61) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28359940 | 0.77 | HDAC6 (0.66) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL12472492 | 0.77 | HDAC6 (1.00) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL28363587 | 0.77 | HDAC6 (0.65) | HDAC1HDAC2HDAC6HDAC8HDAC9 | |
| SCHEMBL24273243 | 0.76 | HDAC1 (0.53) | HDAC1HDAC2HDAC6F10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110668992-B | IDO/HDAC double-target compound and synthetic method and application thereof | 华东师范大学 | 2023-06-09 | — | — | CN | claimed |
| CN-110668992-A | IDO/HDAC double-target compound and synthetic method and application thereof | 华东师范大学 | 2020-01-10 | — | — | CN | claimed |
| CN-110668992-B | IDO/HDAC double-target compound and synthetic method and application thereof | 华东师范大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-110668992-A | IDO/HDAC double-target compound and synthetic method and application thereof | 华东师范大学 | 2020-01-10 | — | — | CN | disclosed |