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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 known ✓ | P61073 | 13/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | CCR2 | P41597 | 1/20 | 0.56 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20806761 | 0.80 | CXCR4 (0.70) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| SCHEMBL3992148 | 0.79 | CXCR4 (0.42) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7474513 | 0.77 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7471461 | 0.77 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| SCHEMBL26331040 | 0.77 | SIGMAR1 (0.41) | CXCR4SIGMAR1 | |
| SCHEMBL18699333 | 0.77 | SIGMAR1 (0.41) | CXCR4SIGMAR1 | |
| SCHEMBL30859683 | 0.77 | SIGMAR1 (0.41) | CXCR4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7473839 | 0.77 | CXCR4 (0.93) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| SCHEMBL19442064 | 0.77 | SIGMAR1 (0.40) | CXCR4SIGMAR1 | |
| SCHEMBL14065686 | 0.75 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104069061-B | Injection composition containing plerixafor and preparation method and application thereof | 江苏奥赛康药业股份有限公司 | 2017-02-08 | — | — | CN | disclosed |