Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PHPT1 | Q9NRX4 | 1/20 | 0.56 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.53 |
| ▸ | ABAT | P80404 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31237217 | 0.83 | GPR35 (0.56) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL2801920 | 0.76 | GPR35 (0.62) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL29502912 | 0.75 | MAPK1 (0.67) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL29484215 | 0.75 | MAPT (0.67) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL4368126 | 0.75 | MAPT (0.67) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL69947 | 0.75 | MAPK1 (0.67) | GPR35MAPK1TP53HPGDTSHR | |
| SCHEMBL6031674 | 0.75 | MAPK1 (0.67) | GPR35MAPK1TP53HPGDTSHR | |
| 2,4-Dinitrophenol SCHEMBL77643 | 0.74 | GPR35 (1.00) | GPR35MAPK1TP53HPGDTSHR | |
| 2,4-Dinitrophenol SCHEMBL1517938 | 0.74 | GPR35 (1.00) | GPR35MAPK1TP53HPGDTSHR | |
| 2,4-Dinitrophenol SCHEMBL29361027 | 0.74 | GPR35 (1.00) | GPR35MAPK1TP53HPGDTSHR |
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-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 |