Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.77 |
| ▸ | HPGD | P15428 | 8/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.77 |
| ▸ | NPC1 | O15118 | 2/20 | 0.77 |
| ▸ | RAB9A | P51151 | 2/20 | 0.77 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.60 |
| ▸ | CASP1 | P29466 | 3/20 | 0.58 |
| ▸ | CASP7 | P55210 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | FOS | P01100 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL19436687 | 1.00 | ALDH1A1 (0.77) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL19436616 | 0.92 | HSD17B10 (0.77) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL29929515 | 0.92 | HSD17B10 (0.77) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL19436611 | 0.89 | HPGD (0.70) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL29929731 | 0.89 | HPGD (0.70) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL19436657 | 0.88 | HSD17B10 (0.71) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL29930116 | 0.88 | HSD17B10 (0.71) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL19436643 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL19436802 | 0.88 | HSD17B10 (0.73) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL14014110 | 0.87 | KDM4E (1.00) | ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311887-B | Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions | BIAL研发投资股份有限公司 | 2022-09-13 | — | — | CN | disclosed |