Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23816359 | 1.00 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL13287235 | 0.92 | ALDH1A1 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL13287204 | 0.91 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL19852014 | 0.91 | FKBP1A (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL19625794 | 0.88 | HPGD (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL17874025 | 0.85 | SLC6A5 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL23215814 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD | |
| SCHEMBL13832812 | 0.83 | CHRM2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19EGFR | |
| SCHEMBL15626857 | 0.83 | CHRM2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19EGFR | |
| SCHEMBL28955997 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113801163-B | Organic arsenic-based II-type pyruvate kinase inhibitor and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2025-03-04 | — | — | CN | disclosed |
| WO-2021254254-A1 | ORGANIC ARSENIC-BASED TYPE II PYRUVATE KINASE INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2021-12-23 | — | — | WO | disclosed |