Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30448561 | 1.00 | CNR2 (0.61) | CNR2HDAC6HDAC1HDAC10LMNA | |
| SCHEMBL28363509 | 0.92 | LMNA (0.59) | HDAC6HDAC1HDAC10LMNAALOX15 | |
| SCHEMBL30448757 | 0.92 | LMNA (0.59) | HDAC6HDAC1HDAC10LMNAALOX15 | |
| SCHEMBL30448570 | 0.85 | HDAC6 (0.56) | HDAC6HDAC1HDAC10LMNAALOX15 | |
| SCHEMBL28360016 | 0.85 | HDAC6 (0.56) | HDAC6HDAC1HDAC10LMNAALOX15 | |
| SCHEMBL28363346 | 0.85 | HDAC6 (0.65) | HDAC6HDAC1HDAC10HDAC8HDAC2 | |
| SCHEMBL28359918 | 0.82 | HDAC6 (0.61) | HDAC6HDAC1HDAC10HTTSMN1; SMN2 | |
| SCHEMBL28377569 | 0.82 | MAPT (0.58) | CNR2HDAC6HDAC1HDAC10LMNA | |
| SCHEMBL28359805 | 0.79 | HDAC1 (0.68) | HDAC6HDAC1HDAC10HDAC8HDAC2 | |
| SCHEMBL28359913 | 0.78 | HDAC1 (0.70) | HDAC6HDAC1HDAC10HDAC8HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |