Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 10/20 | 0.47 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27461328 | 0.98 | SIGMAR1 (0.52) | SIGMAR1CXCR4CXCL12HRH4HRH3 | |
| SCHEMBL681346 | 0.95 | CXCR4 (0.52) | SIGMAR1CXCR4CXCL12HRH4HRH3 | |
| SCHEMBL25963986 | 0.93 | SIGMAR1 (0.47) | SIGMAR1CXCR4CXCL12HRH4HRH3 | |
| SCHEMBL5348992 | 0.86 | RAD52 (0.47) | SIGMAR1CXCR4CXCL12HRH3KDM4E | |
| SCHEMBL4739261 | 0.85 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3KDM4E | |
| SCHEMBL10604006 | 0.85 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3KDM4E | |
| SCHEMBL4786588 | 0.85 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3KDM4E | |
| SCHEMBL841438 | 0.85 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3KDM4E | |
| SCHEMBL4786617 | 0.85 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3KDM4E | |
| SCHEMBL11520861 | 0.85 | CXCR4 (0.52) | CXCR4CXCL12HRH4HRH3KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020135765-A1 | CXCR4 INHIBITOR AND APPLICATION THEREOF | 珠海诺贝尔国际生物医药研究院有限公司 | 2020-07-02 | — | — | WO | disclosed |
| CN-1063442-C | Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds | ZERIA PHARM CO LTD (JP) | 2001-03-21 | — | — | CN | disclosed |
| CN-1184471-A | Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds | ZERIA PHARM CO LTD (JP) | 1998-06-10 | — | — | CN | disclosed |