Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4913569 | 0.92 | CXCR4 (0.59) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4924470 | 0.85 | CXCR4 (0.66) | CXCR4TAS2R14CHRM2CYP2D6DRD2 | |
| SCHEMBL4923734 | 0.83 | CXCR4 (0.53) | CXCR4TAS2R14CHRM2CYP2D6DRD2 | |
| SCHEMBL4913565 | 0.76 | CXCR4 (0.76) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4064483 | 0.75 | CXCR4 (0.72) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4921020 | 0.73 | ALDH1A1 (0.42) | CXCR4 | |
| SCHEMBL4914313 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL2508624 | 0.70 | CXCR4 (0.83) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL13909512 | 0.70 | CXCR4 (0.91) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4129078 | 0.69 | CXCR4 (0.74) | CXCR4CHRM2CYP2D6DRD2OPRM1 |
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-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 |
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 242/4885TAS2R14 4808/4885CHRM2 4334/4885 |
“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.