Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ESRRG | P62508 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2129686 | 1.00 | CYP3A4 (0.69) | CYP3A4TNFRSF1ATRPV1MAP3K11TYK2 | |
| SCHEMBL2129692 | 0.88 | CYP3A4 (0.73) | CYP3A4TNFRSF1AEGFRERBB2 | |
| SCHEMBL1764330 | 0.87 | CYP3A4 (0.74) | CYP3A4TNFRSF1APADI4CYP1A2EGFR | |
| SCHEMBL1764331 | 0.87 | CYP3A4 (0.74) | CYP3A4TNFRSF1APADI4CYP1A2EGFR | |
| SCHEMBL2128242 | 0.85 | CYP3A4 (0.51) | CYP3A4TNFRSF1AMAP3K11ERN1FYN | |
| SCHEMBL2128238 | 0.85 | CYP3A4 (0.51) | CYP3A4TNFRSF1AMAP3K11ERN1FYN | |
| SCHEMBL2130767 | 0.85 | CYP3A4 (0.50) | CYP3A4TNFRSF1ATRPV1MAP3K11ERN1 | |
| SCHEMBL2130774 | 0.85 | CYP3A4 (0.50) | CYP3A4TNFRSF1ATRPV1MAP3K11ERN1 | |
| SCHEMBL1542800 | 0.84 | CYP3A4 (0.70) | CYP3A4TNFRSF1ACYP1A2CYP2D6EGFR | |
| SCHEMBL1542798 | 0.84 | CYP3A4 (0.70) | CYP3A4TNFRSF1ACYP1A2CYP2D6EGFR |
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 |
| 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 |
| 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 528/4885TNFRSF1A 3330/4885TRPV1 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.