Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 6/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL726323 | 0.85 | CYP3A4 (0.64) | CYP3A4KDM1AJAK2BRD4TRPV1 | |
| SCHEMBL3477314 | 0.84 | CYP3A4 (0.49) | CYP3A4KDM1AJAK2IKBKBCHUK | |
| SCHEMBL3425300 | 0.79 | CYP3A4 (0.49) | CYP3A4KDM1AJAK2TRPV1IKBKB | |
| SCHEMBL3423335 | 0.72 | CYP3A4 (0.57) | CYP3A4KDM1AJAK2BRD4 | |
| SCHEMBL1348089 | 0.70 | CYP3A4 (0.48) | CYP3A4BRD4TRPV1IKBKBCHUK | |
| SCHEMBL1348091 | 0.70 | CYP3A4 (0.48) | CYP3A4BRD4TRPV1IKBKBCHUK | |
| SCHEMBL2112242 | 0.68 | CYP3A4 (0.52) | CYP3A4KDM1AMAOAMAOB | |
| SCHEMBL2111644 | 0.68 | CYP3A4 (0.69) | CYP3A4KDM1AJAK2BRD4MAOA | |
| SCHEMBL2111363 | 0.63 | CYP3A4 (1.00) | CYP3A4KDM1AJAK2MAOAMAOB | |
| SCHEMBL2691329 | 0.63 | CYP3A4 (0.51) | CYP3A4KDM1AJAK2BRD4TRPV1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8158803-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-04-17 | — | — | US | disclosed |
| EP-2421831-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010122082-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20100272677-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | LEE EUN KYUNG | 2010-10-28 | — | — | 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-20100272677-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | POLR2A, EIF2AK2, RRM2B | CYP3A4 417/4885KDM1A 1567/4885JAK2 443/4885 |
“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.