Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 5/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4396932 | 0.89 | ADORA3 (0.44) | HTR3ADRD4BRD4L3MBTL1KAT2B | |
| SCHEMBL4794506 | 0.85 | CCNE1 (0.40) | HTR3AKAT2BCDK2CCNE1MEN1 | |
| SCHEMBL4793477 | 0.84 | HTR3A (0.42) | HTR3AKAT2BCDK2CCNE1 | |
| SCHEMBL4794383 | 0.83 | CCNE1 (0.41) | MAPTHTR3ACDK2CCNE1MEN1 | |
| SCHEMBL4792082 | 0.83 | CCNE1 (0.40) | HTR3ACDK2CCNE1 | |
| SCHEMBL5822296 | 0.78 | CCNE1 (0.42) | KAT2BCDK2CCNE1MEN1ALDH1A1 | |
| SCHEMBL4792976 | 0.76 | KMT2A (0.47) | MAPTL3MBTL1MEN1ALDH1A1HTT | |
| SCHEMBL5823134 | 0.74 | MAPT (0.47) | MAPTMEN1ALDH1A1CYP3A4HTT | |
| SCHEMBL4397264 | 0.74 | NPC1 (0.39) | HTR3AKAT2BCDK2CCNE1ALDH1A1 | |
| SCHEMBL4794040 | 0.74 | NPSR1 (0.41) | MAPTL3MBTL1MEN1ALDH1A1CYP1A2 |
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-1919482-A1 | PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007024789-A1 | PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON GENETICS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |