Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14025522 | 0.95 | CXCR4 (0.52) | CXCR4CYP3A4CYP2D6CHRM2DRD2 | |
| SCHEMBL14025518 | 0.94 | CXCR4 (0.47) | CXCR4CYP3A4CYP2D6CHRM2DRD2 | |
| SCHEMBL14025694 | 0.86 | CXCR4 (0.52) | CXCR4CYP3A4CYP2D6CHRM2DRD2 | |
| SCHEMBL14025503 | 0.85 | CXCR4 (0.61) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL14025726 | 0.85 | CXCR4 (0.48) | CXCR4CYP3A4CYP2D6CHRM2DRD2 | |
| SCHEMBL14025481 | 0.84 | CXCR4 (0.48) | CXCR4KCNH2 | |
| SCHEMBL14025489 | 0.82 | KMT2A (0.51) | CYP3A4 | |
| SCHEMBL14025523 | 0.81 | CXCR4 (0.53) | CXCR4CYP3A4CYP2D6CHRM2DRD2 | |
| SCHEMBL14025515 | 0.80 | CXCR4 (0.63) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL14045714 | 0.80 | CXCR4 (0.54) | CXCR4CYP3A4CYP2D6CHRM2DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| WO-2008109154-A1 | CHEMOKINE RECEPTOR MODULATORS | ALTIRIS THERAPEUTICS, INC. (US) | 2008-09-12 | — | — | 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-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | MKI67, CCNI, CDKN1A | CXCR4 242/4885CYP3A4 821/4885CYP2D6 962/4885 |
“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.