Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | CHUK | O15111 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.34 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.34 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 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 | |
|---|---|---|---|---|
| SCHEMBL2127204 | 1.00 | CYP3A4 (0.63) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL1543239 | 0.89 | CYP3A4 (0.68) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL1543237 | 0.89 | CYP3A4 (0.68) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL2127605 | 0.85 | CYP3A4 (0.82) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL2127608 | 0.85 | CYP3A4 (0.82) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL1542588 | 0.80 | CYP3A4 (0.54) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL2128196 | 0.80 | CYP3A4 (0.54) | CYP3A4PADI4PDPK1IKBKBCHUK | |
| SCHEMBL2128668 | 0.78 | CYP3A4 (0.55) | CYP3A4PDPK1IKBKBCHUKTRPV1 | |
| SCHEMBL1542835 | 0.78 | CYP3A4 (0.55) | CYP3A4PDPK1IKBKBCHUKTRPV1 | |
| SCHEMBL2128077 | 0.77 | CYP3A4 (1.00) | CYP3A4PADI4PDPK1TRPV1NR3C2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | claimed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | claimed |
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | disclosed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | disclosed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | 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-20100021423-A1 | Heterocyclic antiviral compounds | POLR2A, RRM2B, RRP1B | CYP3A4 528/4885PADI4 2065/4885PDPK1 4145/4885 |
“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.