Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719980 | 0.92 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1719199 | 0.91 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1719293 | 0.88 | MAPT (0.65) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1718102 | 0.84 | KDM4E (0.65) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1718948 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1718192 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1718638 | 0.84 | MAPK1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1718241 | 0.82 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1719350 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1719846 | 0.82 | RXFP1 (0.68) | ALDH1A1NPSR1MAPK1MAPTGAA |
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-1506196-B1 | PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS | ICAGEN INC (US) | 2012-01-18 | — | — | EP | claimed |
| EP-1506196-B1 | PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS | ICAGEN INC (US) | 2012-01-18 | — | — | EP | disclosed |