Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | FADS1 | O60427 | 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 | |
|---|---|---|---|---|
| SCHEMBL18239084 | 0.85 | HTR2C (0.40) | HTR2CHTR2ATRPA1MAOAMAOB | |
| SCHEMBL8276163 | 0.77 | HTR2C (0.40) | HTR2CHTR2ATRPA1PAX8MAOA | |
| SCHEMBL13409383 | 0.76 | TRPA1 (0.40) | HTR2CHTR2ATRPA1DRD1 | |
| SCHEMBL8272976 | 0.75 | MAOA (0.39) | TRPA1MAOAMAOB | |
| SCHEMBL15465932 | 0.74 | PAX8 (0.45) | HTR2CHTR2APAX8MAOAMAOB | |
| SCHEMBL17426271 | 0.74 | PAX8 (0.45) | HTR2CHTR2APAX8MAOAMAOB | |
| SCHEMBL12278144 | 0.74 | PAX8 (0.45) | HTR2CHTR2APAX8MAOAMAOB | |
| SCHEMBL12463917 | 0.72 | HTR2A (0.44) | HTR2CHTR2ATRPA1MAOADRD1 | |
| SCHEMBL8277931 | 0.72 | HTR2C (0.45) | HTR2CHTR2ATRPA1PAX8MAOA | |
| SCHEMBL4429415 | 0.69 | PAX8 (0.48) | HTR2CHTR2APAX8MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |
| US-7511157-B2 | racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |
| WO-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |