Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 15/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5574564 | 0.99 | CXCR4 (0.51) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL5575977 | 0.99 | CXCR4 (0.51) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL2083415 | 0.90 | CXCR4 (0.54) | CXCR4HDAC1HDAC6MAPK1OPRL1 | |
| SCHEMBL2082926 | 0.90 | CXCR4 (0.54) | CXCR4HDAC1HDAC6MAPK1OPRL1 | |
| SCHEMBL2084411 | 0.90 | CXCR4 (0.54) | CXCR4HDAC1HDAC6MAPK1OPRL1 | |
| SCHEMBL2085776 | 0.77 | CXCR4 (0.47) | CXCR4HDAC1HDAC6MAPK1 | |
| SCHEMBL29067448 | 0.77 | HDAC1 (0.52) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL30486101 | 0.77 | HDAC1 (0.52) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL14275061 | 0.76 | HDAC1 (0.51) | CXCR4HDAC1HDAC6CYP3A4CYP2D6 | |
| SCHEMBL7074653 | 0.76 | SLC40A1 (0.49) | CXCR4HDAC1HDAC6CYP2D6SLC40A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |
| US-20040209921-A1 | CXCR4 chemokine receptor binding comounds | ANORMED CORPORATION (CA) | 2004-10-21 | — | — | US | 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-20040209921-A1 | CXCR4 chemokine receptor binding comounds | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885HDAC1 1911/4885HDAC6 3403/4885 |
“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.