Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL2362488 | 0.91 | HTR2A (0.54) | HTR2ACYP3A4CYP1A1HTR2CHTR2B | |
| SCHEMBL2363467 | 0.88 | CYP3A4 (0.43) | HTR2ACYP3A4CYP1A1ERBB2CD274 | |
| SCHEMBL2364691 | 0.86 | ICMT (0.44) | HTR2ACYP3A4CYP1A1ERBB2CD274 | |
| SCHEMBL3308904 | 0.86 | CYP3A4 (0.42) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL2362428 | 0.86 | CYP3A4 (0.44) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL2362843 | 0.85 | CYP3A4 (0.48) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL2354510 | 0.85 | CYP3A4 (0.41) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL11958301 | 0.84 | CYP3A4 (0.41) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL2352735 | 0.83 | CYP3A4 (0.45) | HTR2ACYP3A4CYP1A1ERBB2ALPL | |
| SCHEMBL2352880 | 0.83 | CYP3A4 (0.42) | HTR2ACYP3A4CYP1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8232271-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2350007-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| US-20100111900-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-05-06 | — | — | US | disclosed |
| WO-2010049331-A1 | HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | WO | 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 | HTR2A 2942/4885CYP3A4 423/4885CYP1A1 312/4885 |
“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.