Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5769930 | 0.88 | CYP1A2 (0.33) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL6098180 | 0.88 | UBE2N (0.45) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL4150996 | 0.87 | CYP1A2 (0.51) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL5767322 | 0.83 | ALDH1A1 (0.37) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL6101670 | 0.82 | KDM4E (0.42) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL6099694 | 0.80 | CYP1B1 (0.41) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL6102479 | 0.80 | PARP1 (0.41) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL5768447 | 0.80 | PARP1 (0.41) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL5766292 | 0.79 | CA12 (0.41) | CYP1A2CYP2C19CA12CA1CA2 | |
| SCHEMBL6101383 | 0.78 | CA1 (0.40) | CYP1A2CYP2C19CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060211724-A1 | Hiv integrase inhibitors | VERSCHUEREN GASTON W | 2006-09-21 | — | — | US | disclosed |
| EP-1625130-A2 | HIV INTEGRASE INHIBITORS | Tibotec Pharmaceuticals Ltd. (IE) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004096807-A2 | HIV INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2004-11-11 | — | — | WO | 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-20060211724-A1 | Hiv integrase inhibitors | SULT1A1, SULT2A1, SULT1E1 | CYP1A2 29/4885CYP2C19 19/4885CA12 4585/4885 |
“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.