Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038116 | 0.81 | L3MBTL1 (0.40) | TRPA1MEN1KMT2AFFAR2PTGDR2 | |
| SCHEMBL4035579 | 0.81 | TRPA1 (0.42) | TRPA1MEN1KMT2AFFAR2PTGDR2 | |
| SCHEMBL31256727 | 0.78 | TRPA1 (0.39) | TRPA1MEN1KMT2AFFAR2PTGDR2 | |
| SCHEMBL4030343 | 0.76 | TRPA1 (0.38) | TRPA1MEN1KMT2AFFAR2PTGDR2 | |
| SCHEMBL2084548 | 0.76 | GABRA1 (0.47) | MEN1KMT2ACYP2C9L3MBTL1FFAR1 | |
| SCHEMBL21915781 | 0.73 | C3AR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2C9TSHR | |
| SCHEMBL21401005 | 0.73 | SLC6A2 (0.41) | SLC6A2HTR2ASLC6A4SLC6A3HTR2B | |
| SCHEMBL24741410 | 0.71 | P2RX7 (0.37) | MEN1KMT2ACYP2C9L3MBTL1FFAR1 | |
| SCHEMBL23691145 | 0.70 | C3AR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9 | |
| SCHEMBL738256 | 0.68 | — | — |
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 |