Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Plerixafor. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 known ✓ | P61073 | 16/20 | 1.00 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.96 |
| ▸ | MEN1 | O00255 | 1/20 | 0.96 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.96 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.96 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.96 |
| ▸ | CCR2 | P41597 | 1/20 | 0.96 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.96 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Plerixafor SCHEMBL414153 | 1.00 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7612104 | 1.00 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7610931 | 1.00 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Plerixafor SCHEMBL123040 | 0.98 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| SCHEMBL5611617 | 0.98 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| SCHEMBL29490414 | 0.98 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Plerixafor SCHEMBL19038 | 0.98 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7474513 | 0.96 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7473839 | 0.96 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7471461 | 0.96 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6756391-B2 | CYCLIC POLYAMINES HAVING TOTAL 9-24 MEMBERS WHICH HAVE ACTIVITY IN AGAINST HIV-INFECTED CELLS AS WELL AS OTHER BIOLOGICAL ACTIVITY RELATED TO BINDING OF LIGANDS TO CHEMOKINE RECEPTORS | ANORMED, INC. (CA) | 2004-06-29 | — | — | US | disclosed |
| US-20030018189-A1 | Cyclic polyamines having total 9-24 members which have activity in against HIV-infected cells as well as other biological activity related to binding of ligands to chemokine receptors | GENZYME CORPORATION | 2003-01-23 | — | — | US | disclosed |
| US-6506770-B1 | Drawn to novel antiviral compounds, pharmaceutical compositions and their use. More specifically this invention is drawn to derivatives of monocyclic polyamines which have activity in standard tests against HIV-infected cells as well | ANORMED, INC. | 2003-01-14 | — | — | US | disclosed |