Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | BRAF | P15056 | 2/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | GCK | P35557 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ESRRA | P11474 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5078313 | 0.91 | POLB (0.57) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL2661681 | 0.89 | PARP10 (0.58) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL5121593 | 0.87 | MAPT (0.62) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL19744831 | 0.86 | ESRRA (0.54) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL11650147 | 0.85 | POLB (0.59) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL2723179 | 0.85 | ALDH1A1 (0.57) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL1554060 | 0.85 | KMT2A (0.59) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL2824118 | 0.85 | BRAF (0.59) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL1553285 | 0.84 | KDM4E (0.55) | HDAC3BRAFHDAC4HDAC1HDAC7 | |
| SCHEMBL11645838 | 0.82 | BRAF (0.70) | HDAC3BRAFHDAC4HDAC1HDAC7 |
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-108727232-A | A kind of preparation method of Ailamode formylated intermediate | 康美（北京）药物研究院有限公司 | 2018-11-02 | — | — | CN | disclosed |