Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.87 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | NOD1 | Q9Y239 | 5/20 | 0.72 |
| ▸ | TNF | P01375 | 3/20 | 0.72 |
| ▸ | NOD2 | Q9HC29 | 3/20 | 0.72 |
| ▸ | MEN1 | O00255 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | HTT | P42858 | 3/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL30960755 | 1.00 | HDAC1 (0.87) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL26159154 | 0.93 | HDAC1 (1.00) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL1264338 | 0.86 | HDAC6 (0.65) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL24590538 | 0.86 | HPGD (0.75) | SMN1; SMN2KDM4EPOLBNOD1TNF | |
| SCHEMBL16085403 | 0.86 | SMN1; SMN2 (1.00) | SMN1; SMN2KDM4ENOD1TNFNOD2 | |
| SCHEMBL16060892 | 0.85 | MEN1 (0.77) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL16085732 | 0.85 | MEN1 (0.77) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL28688629 | 0.83 | MEN1 (1.00) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| Hydrochloric Acid SCHEMBL17502341 | 0.83 | MEN1 (0.75) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB | |
| SCHEMBL29373969 | 0.83 | MEN1 (1.00) | HDAC1HDAC6SMN1; SMN2KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-118027033-A | HDAC6 inhibitor, preparation method thereof and application thereof in anti-inflammatory and ulcerative colitis | 四川大学 | 2024-05-14 | — | — | CN | disclosed |