Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 7/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978621 | 0.97 | BCHE (0.64) | BCHEGAAKMT2AALDH1A1MAPK1 | |
| SCHEMBL29978741 | 0.96 | BCHE (0.67) | BCHEGAAHDAC3HDAC1HDAC2 | |
| SCHEMBL29979248 | 0.91 | BCHE (0.51) | BCHEGAAALDH1A1MAPK1KDM4E | |
| SCHEMBL29978535 | 0.88 | BCHE (0.52) | BCHEALDH1A1MAPK1KDM4ELMNA | |
| SCHEMBL29978379 | 0.87 | BCHE (0.55) | BCHEMAPK1KDM4ELMNAHDAC3 | |
| SCHEMBL27791362 | 0.83 | SMN1; SMN2 (0.56) | BCHEGAAKMT2AALDH1A1MAPK1 | |
| SCHEMBL30587413 | 0.83 | BCHE (0.72) | BCHEGAAKMT2AALDH1A1MAPK1 | |
| SCHEMBL30587417 | 0.83 | BCHE (0.72) | BCHEGAAKMT2AALDH1A1MAPK1 | |
| SCHEMBL5047341 | 0.81 | BCHE (0.70) | BCHEGAAKMT2AALDH1A1MAPK1 | |
| SCHEMBL14144415 | 0.80 | BCHE (0.88) | BCHEGAAKMT2AALDH1A1MAPK1 |
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 |