Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.64 |
| ▸ | HRH4 | Q9H3N8 | 14/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | HTR1D | P28221 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | HRH2 | P25021 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | HTR5A | P47898 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | OGA | O60502 | 5/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090470 | 0.79 | CXCR4 (0.97) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1087988 | 0.79 | CXCR4 (0.66) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1089904 | 0.78 | CXCR4 (1.00) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1090046 | 0.78 | CXCR4 (1.00) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1090583 | 0.78 | CXCR4 (0.74) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL16097795 | 0.78 | IDH1 (0.54) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| Iodide SCHEMBL1090104 | 0.78 | CXCR4 (0.68) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1089965 | 0.78 | CXCR4 (0.68) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| SCHEMBL1089484 | 0.78 | CXCR4 (0.76) | CXCR4HRH4HRH3ADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL1089921 | 0.77 | CXCR4 (0.97) | CXCR4HRH4HRH3ADRA2BADRA2C |
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-109641898-A | For treat nerve and neurodegenerative disease 5,7- dihydro-pyrrole simultaneously-pyridine derivate | 辉瑞公司 | 2019-04-16 | — | — | CN | disclosed |