Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3858516 | 0.88 | CTSK (0.34) | ACHEIRAK4CXCR4 | |
| SCHEMBL11855735 | 0.85 | KCNH2 (0.36) | ACHEIRAK4CXCR4 | |
| SCHEMBL2363395 | 0.84 | KCNH2 (0.41) | ACHEIRAK4CXCR4 | |
| SCHEMBL10287016 | 0.81 | ACHE (0.38) | ACHECXCR4CYP11B1CYP11B2 | |
| SCHEMBL11520274 | 0.81 | CXCR4 (0.30) | CXCR4 | |
| SCHEMBL4071023 | 0.80 | CYP11B1 (0.32) | IRAK4CYP11B1CYP11B2 | |
| SCHEMBL4245388 | 0.79 | HRH4 (0.37) | IRAK4 | |
| SCHEMBL23504188 | 0.78 | CHRNB2 (0.43) | CXCR4 | |
| SCHEMBL23425947 | 0.78 | CHRNB2 (0.43) | CXCR4 | |
| SCHEMBL3864358 | 0.78 | IRAK4 (0.44) | ACHEIRAK4ADRA1ACXCR4CYP11B1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3687540-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | CGeneTech (Suzhou, China) Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019060860-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-03-28 | — | — | WO | disclosed |
| EP-1799671-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-1799671-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006026703-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-09 | — | — | WO | disclosed |
| US-3991065-A | ANTIULCER AGENTS, CHEMICAL INTERMEDIATES | JOHN WYETH & BROTHER LIMITED (EN) | 1976-11-09 | — | — | US | disclosed |