Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.57 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.57 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28796775 | 1.00 | CA2 (0.57) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL8310859 | 0.82 | HSPD1 (0.59) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL6762244 | 0.82 | TXNRD1 (0.59) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL7498033 | 0.80 | CA2 (0.83) | CA2CA1CA12CA9MAPT | |
| SCHEMBL31700862 | 0.79 | HSPD1 (0.61) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL11890646 | 0.79 | MAPT (0.60) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL5389593 | 0.76 | NR1I2 (0.58) | MAPTPOLBHTTKMT2ANR1I2 | |
| SCHEMBL23093497 | 0.75 | CA2 (0.61) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL7577204 | 0.75 | CA2 (0.66) | CA2CA1HSPD1PTPN2PTPN1 | |
| SCHEMBL23093470 | 0.75 | PKM (0.62) | CA2CA1CA12CA9MAPT |
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-113880778-B | Method for preparing 6-amino-5-nitroquinoxaline | 安徽皓元药业有限公司 | 2023-07-25 | — | — | CN | disclosed |