Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3179723 | 0.93 | CYP2C19 (0.76) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL27550438 | 0.92 | CYP2D6 (0.57) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL4244933 | 0.92 | KMT2A (0.60) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL12093346 | 0.92 | POLB (0.60) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL14782117 | 0.92 | CYP2D6 (0.57) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL6205018 | 0.92 | CYP2D6 (0.57) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL39631 | 0.91 | DPP7 (0.73) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| Hydrochloric Acid SCHEMBL7000083 | 0.90 | DPP7 (0.71) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| Hydrochloric Acid SCHEMBL5758788 | 0.90 | DPP7 (0.71) | CYP2D6CYP3A4CYP2C19ALDH1A1DPP7 | |
| SCHEMBL3175221 | 0.89 | CYP2C19 (0.80) | CYP2D6CYP3A4CYP2C19ALDH1A1TNKS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100022769-A1 | NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS | INSTITUT QUIMIC DE SARRIA CETS (ES) | 2010-01-28 | — | — | US | disclosed |
| EP-2100890-A1 | NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS | Institut Quimic De Sarria Cets (ES) | 2009-09-16 | — | — | 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 (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-20100022769-A1 | NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS | MSR1, CCR5, CD4 | CYP2D6 310/4885CYP3A4 397/4885CYP2C19 830/4885 |
“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.