Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13945490 | 0.89 | PARP1 (0.43) | ALDH1A1PARP1POLBRXFP1CXCR2 | |
| SCHEMBL14501805 | 0.83 | PARP1 (0.43) | ALDH1A1ADORA1ADORA2APARP1POLB | |
| SCHEMBL14501806 | 0.83 | ADORA1 (0.45) | ADORA1ADORA2APARP1MEN1KMT2A | |
| SCHEMBL13946193 | 0.82 | LMNA (0.47) | ALDH1A1PARP1POLBRXFP1HPGD | |
| SCHEMBL14501853 | 0.82 | PIM1 (0.46) | ALDH1A1POLBRXFP1CHUKIDO1 | |
| SCHEMBL29554478 | 0.80 | HTT (0.58) | ALDH1A1ADORA1ADORA2AMEN1KMT2A | |
| SCHEMBL13946131 | 0.80 | HTT (0.58) | ALDH1A1ADORA1ADORA2AMEN1KMT2A | |
| SCHEMBL13945512 | 0.79 | PARP1 (0.46) | ALDH1A1PARP1POLBMEN1KMT2A | |
| SCHEMBL14501788 | 0.78 | ALDH1A1 (0.56) | ALDH1A1ADORA1ADORA2APOLBRXFP1 | |
| SCHEMBL13945495 | 0.77 | HPGD (0.55) | ALDH1A1ADORA1ADORA2APOLBRXFP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603886-B1 | 4-SUBSTITUTED-5-CYANO-1H-PYRIMIDIN-6-(THI)ONES AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |
| US-7217712-B2 | 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217712-B2 | 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-15 | — | — | US | disclosed |