Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 10/20 | 0.38 |
| ▸ | CA2 | P00918 | 10/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206147 | 0.85 | CXCR4 (0.55) | CXCR4CA2CA12CA9KCNA5 | |
| SCHEMBL1206642 | 0.83 | CXCR4 (0.70) | CXCR4KCNA5TSHRALDH1A1MEN1 | |
| SCHEMBL1205454 | 0.82 | CXCR4 (0.52) | CXCR4KCNA5TSHRALDH1A1MEN1 | |
| SCHEMBL1206108 | 0.82 | CXCR4 (0.56) | CXCR4CA2CA12CA9KCNA5 | |
| SCHEMBL1205691 | 0.81 | CXCR4 (0.53) | CXCR4MEN1KMT2A | |
| SCHEMBL1206187 | 0.81 | CXCR4 (0.51) | CXCR4KCNA5TSHRALDH1A1KMT2A | |
| SCHEMBL1638570 | 0.80 | CXCR4 (0.51) | CXCR4BRD4MEN1KMT2A | |
| SCHEMBL6131486 | 0.80 | CXCR4 (0.49) | CXCR4KCNA5TSHRMEN1KMT2A | |
| SCHEMBL3737250 | 0.79 | CA1 (0.39) | CA1CA2CA12CA9TSHR | |
| SCHEMBL1205649 | 0.79 | CXCR4 (0.53) | CXCR4KCNA5TSHRALDH1A1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-7176227-B2 | For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis | KUREHA CORPORATION (JP) | 2007-02-13 | — | — | US | disclosed |
| US-20050165063-A1 | Amine compounds and use thereof | KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) | 2005-07-28 | — | — | US | disclosed |
| EP-1550657-A1 | AMINE COMPOUNDS AND USE THEREOF | Kureha Chemical Industry Co., Ltd. (JP) | 2005-07-06 | — | — | EP | 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 (2 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-20050165063-A1 | Amine compounds and use thereof | NR0B2, NR5A2, NR1H4 | CXCR4 90/4885CA1 3454/4885CA2 4598/4885 |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | CXCR4, CXCR6, CCR5 | CXCR4 1/4885CA1 3672/4885CA2 3591/4885 |
“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.