Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 6/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL2356500 | 0.82 | CYP3A4 (0.39) | CYP3A4ALPLCYP1A1ERBB2 | |
| SCHEMBL2364476 | 0.79 | CYP1A1 (0.35) | CYP3A4ALPLCYP1A1ERBB2KDM4E | |
| SCHEMBL2362967 | 0.78 | CYP3A4 (0.50) | CYP3A4ALPLCYP1A1CNR2ERBB2 | |
| SCHEMBL2348091 | 0.76 | CYP3A4 (0.51) | CYP3A4ALPLCA1CA2CYP1A1 | |
| SCHEMBL2362843 | 0.76 | CYP3A4 (0.48) | CYP3A4ALPLCYP1A1ERBB2KDM4E | |
| SCHEMBL13329976 | 0.76 | ADRA2A (0.42) | CYP3A4ALPLCYP1A1ERBB2KDM4E | |
| SCHEMBL3312658 | 0.76 | CYP3A4 (0.44) | CYP3A4ALPLCYP1A1ERBB2KDM4E | |
| SCHEMBL3312623 | 0.76 | CYP3A4 (0.44) | CYP3A4ALPLCYP1A1ERBB2 | |
| SCHEMBL2352735 | 0.73 | CYP3A4 (0.45) | CYP3A4ALPLCA1CA2CYP1A1 | |
| SCHEMBL3314215 | 0.73 | CYP3A4 (0.45) | CYP3A4ALPLCYP1A1ERBB2KDM4E |
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-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | claimed |
| EP-2350007-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | claimed |
| US-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-05-06 | — | — | US | claimed |
| WO-2010049331-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | WO | claimed |
| US-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | disclosed |
| US-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-05-06 | — | — | 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 (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-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | POLR2A, EIF2AK2, POLR2B | CYP3A4 423/4885ALPL 4328/4885CA1 4874/4885 |
“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.