Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 3/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.52 |
| ▸ | ICMT | O60725 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15747713 | 0.89 | CDC25A (0.59) | CDC25ACNR2CNR1ICMTGAA | |
| SCHEMBL28836439 | 0.88 | CDC25A (0.51) | CDC25ACNR2CNR1ICMTGAA | |
| SCHEMBL15747750 | 0.86 | CDC25A (0.67) | CDC25ACNR2CNR1ICMTALDH1A1 | |
| SCHEMBL21246049 | 0.86 | ICMT (0.61) | CDC25ACNR2CNR1ICMTGAA | |
| SCHEMBL13228230 | 0.86 | NR4A2 (0.61) | CDC25ACNR2CNR1ICMTGAA | |
| SCHEMBL21535335 | 0.85 | CDC25A (0.73) | CDC25ACNR2CNR1ICMT | |
| SCHEMBL15747719 | 0.84 | CDC25A (0.75) | CDC25ACNR2CNR1ICMT | |
| SCHEMBL17102877 | 0.84 | CDC25A (0.75) | CDC25ACNR2CNR1ICMT | |
| SCHEMBL28836606 | 0.84 | TSHR (0.53) | CDC25ACNR2CNR1ICMTGAA | |
| SCHEMBL8690315 | 0.83 | S1PR2 (0.58) | CDC25AGAAMAPTALDH1A1KDM4E |
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-113292557-B | Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof | 贵州大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113292557-A | Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof | 贵州大学 | 2021-08-24 | — | — | CN | disclosed |