Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 2/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CCR8 | P51685 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20272979 | 0.77 | S1PR2 (0.33) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL22275856 | 0.75 | BRD4 (0.30) | — | |
| SCHEMBL22428662 | 0.74 | ESR1 (0.30) | ESR1ESR2 | |
| SCHEMBL18672324 | 0.72 | NOS1 (0.34) | ESR1ESR2KMOCCR1CCR5 | |
| SCHEMBL13069319 | 0.72 | NOS2 (0.37) | — | |
| SCHEMBL17828000 | 0.72 | CCR1 (0.40) | ESR1ESR2KMOCCR1CCR5 | |
| SCHEMBL12692496 | 0.71 | CCR1 (0.43) | ESR1ESR2KMOCCR1CCR5 | |
| SCHEMBL17827999 | 0.71 | CCR1 (0.43) | ESR1ESR2KMOCCR1CCR5 | |
| SCHEMBL101583 | 0.71 | CCR1 (0.50) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL25895511 | 0.71 | NOS3 (0.35) | ESR1ESR2CCR1CCR5CCR8 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-07-30 | — | — | 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-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | CXCR4, CXCL12, CXCR1 | ESR1 235/4885ESR2 80/4885NR3C2 233/4885 |
“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.