Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.35 |
| ▸ | VEGFA | P15692 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ARNT | P27540 | 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 | |
|---|---|---|---|---|
| SCHEMBL1343524 | 0.93 | CYP3A4 (0.58) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL13983342 | 0.93 | CYP3A4 (0.53) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL1343934 | 0.92 | CYP3A4 (0.41) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL13661696 | 0.91 | CYP3A4 (0.50) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL1342245 | 0.91 | CYP3A4 (0.48) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL13661733 | 0.88 | CYP3A4 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL1343501 | 0.88 | CYP3A4 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL1342509 | 0.87 | CYP3A4 (0.51) | CYP3A4KCNH2CYP2C9CYP2C19GPR35 | |
| SCHEMBL14304732 | 0.86 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL1343933 | 0.86 | EPAS1 (0.38) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225239-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-10-22 | — | — | EP | disclosed |
| US-8063064-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063028-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2057125-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |
| US-20110059975-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | KENNEDY-SMITH JOSHUA | 2011-03-10 | — | — | US | disclosed |
| EP-2225239-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| US-7713974-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |
| WO-2009080534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| US-20090170856-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2009-07-02 | — | — | US | disclosed |
| US-20080045511-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-02-21 | — | — | US | disclosed |
| US-7291729-B2 | Process for preparing 3-aryloxy-phenylacetic acid compounds | ROCHE PALO ALTO LLC (US) | 2007-11-06 | — | — | 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 (3 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-20080045511-A1 | Non-nucleoside reverse transcriptase inhibitors | ADORA2B, ADORA1, ADORA3 | CYP3A4 186/4885KCNH2 4213/4885CYP2C9 1256/4885 |
| US-20110059975-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | RPIA, ADORA2B, NQO2 | CYP3A4 269/4885KCNH2 4218/4885CYP2C9 1346/4885 |
| US-20090170856-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | REV1, XDH, RNASEH1 | CYP3A4 502/4885KCNH2 2716/4885CYP2C9 1032/4885 |
“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.