Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.62 |
| ▸ | ERCC5 | P28715 | 3/20 | 0.43 |
| ▸ | FEN1 | P39748 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.40 |
| ▸ | KDM5A | P29375 | 2/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11224856 | 0.77 | HAO1 (1.00) | HAO1ERCC5FEN1PTPN1HTT | |
| Water SCHEMBL11227425 | 0.76 | HAO1 (0.98) | HAO1ERCC5FEN1PTPN1HTT | |
| Water SCHEMBL11227423 | 0.76 | HAO1 (0.98) | HAO1ERCC5FEN1PTPN1HTT | |
| SCHEMBL21408996 | 0.74 | USP2 (0.50) | HTTTRPV1KDM4CKDM5AKDM5B | |
| SCHEMBL21408999 | 0.74 | USP2 (0.50) | HTTTRPV1KDM4CKDM5AKDM5B | |
| SCHEMBL7038866 | 0.73 | HAO1 (0.53) | HAO1HTTKDM4CKDM5AKDM5B | |
| SCHEMBL1176599 | 0.73 | HTR6 (0.48) | HTR6 | |
| Oxalic Acid SCHEMBL5361082 | 0.70 | HTR6 (0.56) | HAO1HTTKDM4CKDM5AKDM5B | |
| SCHEMBL7079687 | 0.70 | HAO1 (0.77) | HAO1ERCC5FEN1PTPN1HTT | |
| SCHEMBL3590904 | 0.67 | FFAR1 (0.52) | HTTKDM4CKDM5AKDM5BKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4336397-A | 2,4-Dioxo-4-substituted-1-butanoic acid derivatives useful in treating urinary tract calcium oxalate lithiasis | MERCK & CO., INC. (US) | 1982-06-22 | — | — | US | disclosed |