Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978535 | 0.97 | BCHE (0.52) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL29978379 | 0.96 | BCHE (0.55) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL27791362 | 0.92 | SMN1; SMN2 (0.56) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL29978736 | 0.91 | BCHE (0.63) | BCHEKDM4ELMNAMAPK1HDAC6 | |
| SCHEMBL29978621 | 0.88 | BCHE (0.64) | BCHEKDM4EMAPK1HDAC6ALDH1A1 | |
| SCHEMBL29978614 | 0.88 | SMN1; SMN2 (0.55) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL29978741 | 0.87 | BCHE (0.67) | BCHEHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL27791127 | 0.86 | SMN1; SMN2 (0.54) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL27791140 | 0.86 | SMN1; SMN2 (0.54) | BCHESMN1; SMN2KDM4ELMNAMAPK1 | |
| SCHEMBL14315095 | 0.76 | SMN1; SMN2 (0.53) | BCHESMN1; SMN2KDM4ELMNAMAPK1 |
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-115286583-A | Diphenylaminopyrimidine-containing compound, preparation and application thereof as HDACs enzyme inhibitor | 山东大学 | 2022-11-04 | — | — | CN | claimed |
| CN-115286583-A | Diphenylaminopyrimidine-containing compound, preparation and application thereof as HDACs enzyme inhibitor | 山东大学 | 2022-11-04 | — | — | CN | disclosed |