Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057003 | 0.89 | KDM4E (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11539502 | 0.80 | HDAC3 (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL20888876 | 0.76 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27601670 | 0.76 | SIRT2 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28094503 | 0.75 | CHEK1 (0.43) | ALDH1A1KMT2ACHEK1AURKADAPK3 | |
| SCHEMBL19911607 | 0.75 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5873836 | 0.72 | NR1H2 (0.43) | BRD4CHEK1AURKADAPK3CSNK1A1 | |
| SCHEMBL27634812 | 0.72 | CHEK1 (0.54) | BRD4ALDH1A1KMT2ACHEK1AURKA | |
| SCHEMBL27601679 | 0.72 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27800469 | 0.70 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-105745192-A | Substituted phenylalanine derivatives | 拜耳制药股份公司 | 2016-07-06 | — | — | CN | disclosed |