Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | STAT6 | P42226 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913556 | 0.89 | ADORA1 (0.59) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913557 | 0.89 | MEN1 (0.50) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913560 | 0.87 | ALDH1A1 (0.62) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913563 | 0.86 | RET (0.62) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913728 | 0.86 | ALDH1A1 (0.69) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913555 | 0.84 | ADORA1 (0.64) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913558 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913811 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913565 | 0.83 | RET (0.54) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL13913581 | 0.82 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4EHPGDMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7504421-B2 | Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |