Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15952526 | 0.91 | HTT (0.82) | HTTHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5175540 | 0.81 | HDAC1 (0.54) | HTTHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10672823 | 0.80 | HTT (0.71) | HTTHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10055017 | 0.79 | CLK4 (0.52) | HTT | |
| SCHEMBL8347801 | 0.79 | CYP1A2 (0.50) | HTTCYP1A2CYP2C19MAPTPOLB | |
| SCHEMBL1577226 | 0.78 | CYP1A2 (0.48) | HTTHDAC1CYP1A2SMN1; SMN2MAPT | |
| SCHEMBL12932833 | 0.76 | CYP1A2 (0.47) | HTTHDAC1CYP1A2SMN1; SMN2MAPT | |
| SCHEMBL12963099 | 0.76 | CYP1A2 (0.55) | HTTHDAC1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL145375 | 0.74 | CYP1A2 (0.50) | HTTHDAC1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL22048585 | 0.74 | CYP1A2 (0.46) | HTTHDAC1CYP1A2CYP2C19SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| WO-2008008854-A9 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | UNIV EMORY (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008008854-A2 | CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS | EMORY UNIVERSITY (US) | 2008-01-17 | — | — | 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-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | CXCR4, CXCL12, CCR5 | HTT 2306/4885HDAC1 861/4885CYP1A2 4268/4885 |
“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.