Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030524 | 0.87 | MAOA (0.41) | KMT2AP2RX7TSHR | |
| SCHEMBL4032446 | 0.86 | NFE2L2 (0.36) | NFE2L2 | |
| SCHEMBL4038579 | 0.81 | TRPA1 (0.39) | TRPA1FFAR2MEN1KMT2AP2RX7 | |
| SCHEMBL2085063 | 0.78 | GABRA1 (0.42) | SLC6A2CYP2C9 | |
| SCHEMBL4038116 | 0.77 | L3MBTL1 (0.40) | TRPA1FFAR2MEN1KMT2AP2RX7 | |
| SCHEMBL4030343 | 0.73 | TRPA1 (0.38) | TRPA1FFAR2MEN1KMT2AP2RX7 | |
| SCHEMBL4031836 | 0.73 | NPSR1 (0.34) | NFE2L2CYP2C9LMNANPSR1 | |
| SCHEMBL6115316 | 0.72 | TRIM24 (0.39) | MEN1KMT2AL3MBTL1HTR1ALMNA | |
| SCHEMBL31256727 | 0.72 | TRPA1 (0.39) | TRPA1FFAR2MEN1KMT2ANFE2L2 | |
| SCHEMBL3823757 | 0.71 | TRIM24 (0.38) | MEN1KMT2ANFE2L2TSHRL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |