Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL178508 | 1.00 | HTR2A (0.47) | HTR2ASLC6A4KCNH2HDAC6CES2 | |
| SCHEMBL20575169 | 0.83 | HTR2A (0.55) | HTR2ASLC6A4KCNH2CES2CES1 | |
| SCHEMBL18475407 | 0.83 | HDAC6 (0.45) | HTR2ASLC6A4KCNH2HDAC6CES2 | |
| SCHEMBL18589009 | 0.83 | HTR2A (0.55) | HTR2ASLC6A4KCNH2CES2CES1 | |
| SCHEMBL29766805 | 0.83 | HTR2A (0.55) | HTR2ASLC6A4KCNH2CES2CES1 | |
| SCHEMBL26949026 | 0.83 | HTR2A (0.55) | HTR2ASLC6A4KCNH2CES2CES1 | |
| SCHEMBL23134302 | 0.82 | HTR2A (0.44) | HTR2ASLC6A4KCNH2SLC6A2CYP2D6 | |
| SCHEMBL10315773 | 0.82 | HDAC6 (0.41) | HDAC6CES2CES1SLC6A2IDO1 | |
| SCHEMBL178502 | 0.80 | HTR2A (0.54) | HTR2ASLC6A4KCNH2GPR139 | |
| SCHEMBL765645 | 0.80 | APLNR (0.45) | HTR2ASLC6A4KCNH2CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140010784-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-09 | — | — | US | disclosed |
| US-8486989-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-16 | — | — | US | disclosed |
| US-20130116169-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |
| US-8426359-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-23 | — | — | US | disclosed |
| US-8217048-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-10 | — | — | US | disclosed |
| US-20110104115-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCOROPRATED (US) | 2011-05-05 | — | — | US | disclosed |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-08 | — | — | US | disclosed |
| US-7378422-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-05-27 | — | — | US | disclosed |
| US-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | PITLIK JANOS | 2007-12-20 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |
| WO-2005035525-A2 | 2-AMIDO-4-ARYLOXY-1-CARBONYLPYRROLIDINE DERIVATIVES AS INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-04-21 | — | — | 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 (5 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-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | SERPINB1, PRSS1, SPINT2 | HTR2A 3297/4885SLC6A4 1614/4885KCNH2 4706/4885 |
| US-20130116169-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | HTR2A 3213/4885SLC6A4 1616/4885KCNH2 4716/4885 |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | HTR2A 3213/4885SLC6A4 1616/4885KCNH2 4716/4885 |
| US-20140010784-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | HTR2A 2900/4885SLC6A4 2032/4885KCNH2 4786/4885 |
| US-20110104115-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | HTR2A 3213/4885SLC6A4 1616/4885KCNH2 4716/4885 |
“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.