Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542583 | 0.90 | CYP3A4 (0.47) | CYP3A4CNR1CNR2SIGMAR1KMT2A | |
| SCHEMBL1542600 | 0.89 | CNR1 (0.52) | CYP3A4CNR1CNR2MEN1KMT2A | |
| SCHEMBL2128506 | 0.87 | CYP3A4 (0.51) | CYP3A4CNR1CNR2 | |
| SCHEMBL1542529 | 0.84 | MAPK1 (0.51) | CYP3A4CHRNB2CHRNA4CHEK1CNR1 | |
| SCHEMBL1542756 | 0.84 | CYP3A4 (0.48) | CYP3A4CHEK1CNR1CNR2 | |
| SCHEMBL1543184 | 0.82 | CYP3A4 (0.46) | CYP3A4CNR1CNR2 | |
| SCHEMBL1542533 | 0.81 | CYP3A4 (0.47) | CYP3A4CNR1CNR2 | |
| SCHEMBL2127541 | 0.81 | CYP3A4 (0.47) | CYP3A4CNR1CNR2 | |
| SCHEMBL1542602 | 0.81 | CYP3A4 (0.53) | CYP3A4CNR1CNR2 | |
| SCHEMBL1542387 | 0.79 | CYP3A4 (0.47) | CYP3A4CNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | claimed |
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-20100021423-A1 | Heterocyclic antiviral compounds | POLR2A, RRM2B, RRP1B | CYP3A4 528/4885CHRNB2 4513/4885CHRNA4 4419/4885 |
“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.