Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL1823851 | 0.79 | CYP2A6 (0.44) | CYP2A6MEN1KMT2AMAPTBACE1 | |
| SCHEMBL2836255 | 0.79 | CYP2A6 (0.48) | CYP2A6MEN1KMT2ALMNABACE1 | |
| SCHEMBL1826512 | 0.78 | CYP2A6 (0.43) | CYP2A6MAPTBACE1HPGDSMN1; SMN2 | |
| SCHEMBL8300939 | 0.78 | CYP2A6 (0.43) | CYP2A6MEN1KMT2ALMNAMAPT | |
| SCHEMBL5924594 | 0.77 | CYP2A6 (0.35) | CYP2A6MAPTBACE1ALDH1A1SMN1; SMN2 | |
| SCHEMBL197250 | 0.74 | CYP2A6 (0.61) | CYP2A6MEN1KMT2ALMNAMAPT | |
| SCHEMBL31178606 | 0.74 | CYP2A6 (0.40) | CYP2A6MEN1KMT2ALMNAMAPT | |
| SCHEMBL10088620 | 0.74 | CYP2A6 (0.40) | CYP2A6MAPTALDH1A1L3MBTL1APP | |
| SCHEMBL2836245 | 0.73 | GSTP1 (0.42) | CYP2A6MEN1KMT2ALMNAMAPT | |
| SCHEMBL11525332 | 0.72 | HSD17B1 (0.49) | CYP2A6MEN1KMT2ALMNAMAPT |
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-20110224208-A1 | NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2011-09-15 | — | — | US | disclosed |
| EP-2358682-A2 | ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010055164-A2 | NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2010-05-20 | — | — | 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-20110224208-A1 | NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION | MAVS, IRF3, EIF2AK2 | CYP2A6 1045/4885MEN1 4759/4885KMT2A 3433/4885 |
“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.