Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.82 |
| ▸ | HPGD | P15428 | 10/20 | 0.82 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.60 |
| ▸ | CASP1 | P29466 | 7/20 | 0.60 |
| ▸ | CASP7 | P55210 | 7/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | POLB | P06746 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 9/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719438 | 0.93 | ALDH1A1 (0.81) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1719048 | 0.92 | ALDH1A1 (0.81) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718241 | 0.92 | ALDH1A1 (0.83) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1717864 | 0.89 | ALDH1A1 (0.75) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1717779 | 0.87 | ALDH1A1 (0.83) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718189 | 0.84 | ALDH1A1 (0.59) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718636 | 0.84 | MAPK1 (0.62) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718105 | 0.84 | ALDH1A1 (0.59) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718296 | 0.83 | ALDH1A1 (0.75) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1718892 | 0.82 | ALDH1A1 (0.76) | ALDH1A1HPGDNPSR1CYP1A2CYP3A4 |
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 |