Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.35 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL2127697 | 1.00 | CYP3A4 (0.75) | CYP3A4CRBNTRPV1PADI4IKBKB | |
| SCHEMBL1764712 | 0.94 | CYP3A4 (0.66) | CYP3A4CRBNTRPV1PADI4IKBKB | |
| SCHEMBL1542489 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4TNFRSF1A | |
| SCHEMBL1542691 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4TDP2 | |
| SCHEMBL2128593 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4TNFRSF1A | |
| SCHEMBL2127615 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4TDP2 | |
| SCHEMBL2129146 | 0.88 | CYP3A4 (0.58) | CYP3A4CRBNIKBKBCHUKBRD4 | |
| SCHEMBL2129151 | 0.88 | CYP3A4 (0.58) | CYP3A4CRBNIKBKBCHUKBRD4 | |
| SCHEMBL482573 | 0.87 | CYP3A4 (0.75) | CYP3A4CRBNTRPV1PADI4TNFRSF1A | |
| SCHEMBL482574 | 0.87 | CYP3A4 (0.75) | CYP3A4CRBNTRPV1PADI4TNFRSF1A |
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 528/4885CRBN 1397/4885TRPV1 4645/4885 |
“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.