Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.65 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1428483 | 0.91 | KDM4E (0.56) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL7455570 | 0.89 | APP (0.60) | CHRNB2CHRNA4ALDH1A1APPMTNR1A | |
| SCHEMBL1428123 | 0.85 | KDM4E (0.61) | CHRNB2CHRNA4KDM4ELMNALTA4H | |
| SCHEMBL10339364 | 0.84 | APP (0.55) | CHRNB2CHRNA4LMNALTA4HAPP | |
| SCHEMBL9911816 | 0.84 | APP (0.55) | CHRNB2CHRNA4APPMTNR1AMTNR1B | |
| SCHEMBL7022072 | 0.82 | FAAH (0.56) | LTA4HAPPMTNR1AMTNR1B | |
| SCHEMBL73214 | 0.82 | APP (0.54) | CHRNB2CHRNA4ALDH1A1APPMAPT | |
| SCHEMBL7239002 | 0.82 | APP (0.54) | CHRNB2CHRNA4KDM4EALDH1A1APP | |
| SCHEMBL31570769 | 0.82 | APP (0.54) | CHRNB2CHRNA4KDM4EALDH1A1APP | |
| SCHEMBL19732849 | 0.82 | APP (0.54) | CHRNB2CHRNA4LTA4HAPPMTNR1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| EP-2300456-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | Allergan, Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | CXCR4, CXCR2, CXCL12 | CHRNB2 1086/4885CHRNA4 875/4885KDM4E 4693/4885 |
“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.