Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.63 |
| ▸ | CCR2 | P41597 | 1/20 | 0.63 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.63 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14640067 | 0.84 | CXCR4 (0.72) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Bromide SCHEMBL9709602 | 0.83 | CXCR4 (0.67) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL13077386 | 0.82 | CXCR4 (0.63) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL24677400 | 0.81 | CXCR4 (0.56) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL14640063 | 0.81 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Bromide SCHEMBL9709490 | 0.80 | CXCR4 (0.63) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL29490414 | 0.80 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Plerixafor SCHEMBL19038 | 0.80 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL5611617 | 0.80 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL14640062 | 0.80 | CXCR4 (0.78) | CXCR4MEN1CHRM2CHRM1ADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010126888-A1 | HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS | GLYCOMIMETICS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |