Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 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 | |
|---|---|---|---|---|
| SCHEMBL12849191 | 0.92 | CYP3A4 (0.59) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12849187 | 0.91 | CYP3A4 (0.59) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4581717 | 0.90 | CYP3A4 (0.64) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4582808 | 0.85 | CYP3A4 (0.57) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14040349 | 0.84 | CYP3A4 (0.56) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14040281 | 0.84 | CYP3A4 (0.63) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12849007 | 0.84 | CYP3A4 (0.63) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12798208 | 0.84 | CYP3A4 (0.42) | CYP3A4KCNH2CYP2C9CYP2C19HTR2C | |
| SCHEMBL3665191 | 0.83 | CYP3A4 (0.67) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3664979 | 0.83 | CYP3A4 (0.70) | CYP3A4KCNH2CYP2C9CYP2C19CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906540-B2 | Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections | ROCHE PALO ALTO LLC (US) | 2011-03-15 | — | — | US | disclosed |
| EP-2142520-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008119662-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | WO | disclosed |
| WO-2008119662-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | WO | disclosed |
| US-20080249151-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-10-09 | — | — | 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-20080249151-A1 | Non-nucleoside reverse transcriptase inhibitors | QTRT1, RTF1, REV1 | CYP3A4 1071/4885KCNH2 3975/4885CYP2C9 1591/4885 |
“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.