Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.42 |
| ▸ | HRH1 | P35367 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22042217 | 0.89 | HRH1 (0.44) | HTR2AHRH1TAAR1SIGMAR1CES2 | |
| SCHEMBL9789913 | 0.81 | HTR2A (0.65) | HTR2AHRH1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL22042211 | 0.79 | HRH1 (0.46) | HTR2AHRH1TAAR1CES2CES1 | |
| SCHEMBL4459353 | 0.79 | SIGMAR1 (0.44) | HTR2ASIGMAR1 | |
| SCHEMBL1308306 | 0.79 | TRPA1 (0.40) | HTR2AHRH1SIGMAR1CES2CES1 | |
| SCHEMBL2710461 | 0.78 | HTR2A (0.40) | HTR2AHRH1TAAR1SIGMAR1CES2 | |
| SCHEMBL14307122 | 0.78 | HTR2A (0.40) | HTR2AHRH1TAAR1SIGMAR1CES2 | |
| SCHEMBL8728015 | 0.78 | HTR2A (0.45) | HTR2ASIGMAR1 | |
| SCHEMBL22734895 | 0.78 | HTR2A (0.45) | HTR2ASIGMAR1 | |
| SCHEMBL2404354 | 0.78 | HTR2A (0.45) | HTR2ASIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569901-A2 | ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) | Wyeth (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052854-A2 | ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED 1H-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) | WYETH (US) | 2004-06-24 | — | — | WO | disclosed |