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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7612104 | 1.00 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7610931 | 1.00 | CXCR4 (1.00) | CXCR4HRH3MEN1CHRM2CHRM1 | |
| Plerixafor SCHEMBL6889125 | 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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720856-B1 | HIV INTEGRASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-08-14 | — | — | EP | claimed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | claimed |
| EP-1569931-B1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | EP | claimed |
| US-20080234231-A1 | Hiv Integrase Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2008-09-25 | — | — | US | claimed |
| US-20080214527-A1 | Hiv Integrase Inhibitors | SHIONOGI & CO. LTD (JP) | 2008-09-04 | — | — | US | claimed |
| US-20080214503-A1 | Hiv Integrase Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2008-09-04 | — | — | US | claimed |
| EP-1569647-B1 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-08-20 | — | — | EP | claimed |
| US-20080194523-A1 | Hiv Integrase Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2008-08-14 | — | — | US | claimed |
| US-20080194554-A1 | Hiv Protease Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2008-08-14 | — | — | US | claimed |
| EP-1569933-B1 | PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-07-23 | — | — | EP | claimed |
| US-20060009651-A1 | Benzophenones as inhibitors of reverse transcriptase | CHAN JOSEPH H | 2006-01-12 | — | — | US | claimed |
| EP-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | claimed |
| EP-1569931-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | claimed |
| EP-1569647-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SmithKline Beecham Corporation (US) | 2005-09-07 | — | — | EP | claimed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | claimed |
| WO-2004055011-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | claimed |
| WO-2004054581-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | claimed |
| US-20040122064-A1 | Benzophenones as inhibitors of reverse transcriptase | SMITHKLINE BEECHAM CORPORATION | 2004-06-24 | — | — | US | claimed |
| EP-1363877-A2 | BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE | SmithKline Beecham Corporation (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002070470-A2 | BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-12 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR1 | CXCR4 7/4885HRH3 133/4885MEN1 4508/4885 |
| US-20060009651-A1 | Benzophenones as inhibitors of reverse transcriptase | POLRMT, ELL, POLR2A | CXCR4 3027/4885HRH3 2409/4885MEN1 4875/4885 |
| US-20040122064-A1 | Benzophenones as inhibitors of reverse transcriptase | POLRMT, ELL, POLR2A | CXCR4 3027/4885HRH3 2409/4885MEN1 4875/4885 |
| US-20080214527-A1 | Hiv Integrase Inhibitors | API5, ING2, SAMHD1 | CXCR4 1064/4885HRH3 3281/4885MEN1 4841/4885 |
| US-20080214503-A1 | Hiv Integrase Inhibitors | SAMHD1, ACIN1, API5 | CXCR4 1761/4885HRH3 2735/4885MEN1 4822/4885 |
| US-20080194554-A1 | Hiv Protease Inhibitors | PREP, DNPEP, ANPEP | CXCR4 1909/4885HRH3 2621/4885MEN1 4822/4885 |
| US-20080194523-A1 | Hiv Integrase Inhibitors | ING2, API5, SAMHD1 | CXCR4 1010/4885HRH3 3080/4885MEN1 4832/4885 |
| US-20080234231-A1 | Hiv Integrase Inhibitors | ING2, API5, SAMHD1 | CXCR4 1010/4885HRH3 3080/4885MEN1 4832/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.