Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16411423 | 0.77 | HDAC8 (0.32) | HDAC8 | |
| SCHEMBL19332862 | 0.77 | HDAC8 (0.32) | HDAC8 | |
| SCHEMBL21362451 | 0.76 | — | — | |
| SCHEMBL19332776 | 0.70 | TDP1 (0.38) | TSHR | |
| SCHEMBL27520909 | 0.69 | — | — | |
| SCHEMBL6271490 | 0.67 | KDM4E (0.37) | IMPDH2 | |
| SCHEMBL16417164 | 0.67 | — | — | |
| SCHEMBL25469043 | 0.66 | KDM4E (0.42) | — | |
| SCHEMBL21361968 | 0.66 | HSD17B10 (0.30) | — | |
| SCHEMBL292139 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |