Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4913576 | 0.90 | CXCR4 (0.69) | CXCR4NR1H2ALDH1A1POLBLMNA | |
| SCHEMBL4923600 | 0.89 | CXCR4 (0.62) | CXCR4MAOAMAOBCASP3NR1H2 | |
| SCHEMBL4748942 | 0.83 | ALDH1A1 (0.61) | CXCR4MCHR1ALDH1A1POLBGRM2 | |
| SCHEMBL4924436 | 0.78 | CXCR4 (0.79) | CXCR4NR1H2ALDH1A1LMNAKMT2A | |
| SCHEMBL17468364 | 0.72 | CXCR4 (0.55) | CXCR4ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL25205014 | 0.72 | HSD17B10 (0.53) | ALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL4923100 | 0.71 | CXCR4 (1.00) | CXCR4ALDH1A1LMNAKMT2A | |
| SCHEMBL14470114 | 0.71 | KMT2A (0.70) | CXCR4MAOAMAOBCASP3ALDH1A1 | |
| SCHEMBL4751222 | 0.71 | SMN1; SMN2 (0.58) | CXCR4ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL4923111 | 0.70 | CXCR4 (1.00) | CXCR4ALDH1A1LMNAKMT2A |
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 242/4885MAOA 2611/4885MAOB 2303/4885 |
“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.