Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 16/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13285361 | 1.00 | ADORA1 (0.48) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL16357762 | 0.96 | ADORA1 (0.46) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163937 | 0.94 | ADORA1 (0.48) | ADORA1SLC6A3ALDH1A1MEN1KMT2A | |
| SCHEMBL12163640 | 0.93 | ADORA1 (0.47) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163654 | 0.92 | ADORA1 (0.44) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163705 | 0.92 | ADORA1 (0.44) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163858 | 0.92 | ADORA1 (0.42) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163871 | 0.92 | ADORA1 (0.42) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163938 | 0.92 | ADORA1 (0.41) | ADORA1SLC6A3RETKDM4EPPARG | |
| SCHEMBL12163648 | 0.92 | ADORA1 (0.41) | ADORA1SLC6A3RETKDM4EPPARG |
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-2235011-B1 | SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | Bayer Pharma AG (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010072315-A1 | AMINO ACID ESTER PRODRUGS AND THE USE THEREOF | BAYER SCHERING PHARMA AG (DE) | 2010-07-01 | — | — | WO | disclosed |