Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 9/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Butanal SCHEMBL5945901 | 0.80 | CTSK (0.47) | CA1CA7CTSKCA2CYP2D6 | |
| SCHEMBL101218 | 0.78 | DGAT1 (0.46) | CA1CA7CA12CA14CTSK | |
| SCHEMBL28465962 | 0.77 | CA1 (0.38) | ALDH1A1CA1CA7CA12CA14 | |
| SCHEMBL23161058 | 0.77 | CTSK (0.40) | CA1CA7CA12CA14CTSK | |
| SCHEMBL1522412 | 0.76 | DGAT1 (0.44) | CA1CA7CA12CA14CTSK | |
| SCHEMBL6272856 | 0.76 | DGAT1 (0.44) | CA1CA7CA12CA14CTSK | |
| Potassium SCHEMBL29554503 | 0.76 | DGAT1 (0.44) | CA1CA7CA12CA14CTSK | |
| SCHEMBL10011981 | 0.75 | CA12 (0.37) | CA1CA7CA12CA14CTSK | |
| SCHEMBL166206 | 0.74 | CA1 (0.42) | ALDH1A1CA1CA7CA12CA14 | |
| SCHEMBL8004 | 0.74 | TDP1 (0.55) | ALDH1A1CA1CA12CTSKTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730113-B1 | PROCESS FOR THE SYNTHESIS OF A CXCR4 ANTAGONIST | GENZYME CORP (US) | 2016-12-28 | — | — | EP | disclosed |
| US-7332605-B2 | Process for the synthesis of CXCR4 antagonist | ANORMED, INC. (CA) | 2008-02-19 | — | — | US | disclosed |
| US-20050209277-A1 | Process for the synthesis of CXCR4 antagonist | ANORMED CORPORATION (CA) | 2005-09-22 | — | — | 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-20050209277-A1 | Process for the synthesis of CXCR4 antagonist | CXCR4, CXCR1, CXCL12 | ALDH1A1 229/4885CA1 3008/4885CA7 1833/4885 |
“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.