Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.56 |
| ▸ | BACE1 | P56817 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL465821 | 0.92 | CXCR4 (0.53) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL520138 | 0.91 | CXCR4 (0.49) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL30323744 | 0.91 | CXCR4 (0.49) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL22650478 | 0.91 | CXCR4 (0.49) | CXCR4BACE1APPNOS3NOS1 | |
| Hydrochloric Acid SCHEMBL2149315 | 0.91 | CXCR4 (0.51) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL5342190 | 0.91 | CXCR4 (0.51) | CXCR4BACE1APP | |
| SCHEMBL465722 | 0.88 | CXCR4 (0.65) | CXCR4BACE1APPCHRM2CHRM1 | |
| SCHEMBL465823 | 0.88 | CXCR4 (0.77) | CXCR4BACE1APP | |
| SCHEMBL14881459 | 0.87 | CXCR4 (0.45) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL7661481 | 0.86 | CXCR4 (0.47) | CXCR4BACE1APPNOS1CHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11246949-B2 | Imaging contrast agents and uses thereof | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-02-15 | — | — | US | disclosed |
| US-20140193344-A1 | IMAGING CONTRAST AGENTS AND USES THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2014-07-10 | — | — | US | disclosed |
| US-20140193344-A1 | IMAGING CONTRAST AGENTS AND USES THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2014-07-10 | — | — | US | disclosed |
| WO-2012155076-A2 | IMAGING CONTRAST AGENTS AND USES THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2012-11-15 | — | — | 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 (2 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-20140193344-A1 | IMAGING CONTRAST AGENTS AND USES THEREOF | SLC40A1, SLC39A14, SLC39A3 | CXCR4 669/4885BACE1 3877/4885APP 1881/4885 |
| US-11246949-B2 | Imaging contrast agents and uses thereof | SLC40A1, SLC39A14, SLC39A3 | CXCR4 669/4885BACE1 3877/4885APP 1881/4885 |
“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.