Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19859150 | 0.88 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL30745103 | 0.83 | CYP4F2 (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL289465 | 0.83 | CYP4F2 (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL29572125 | 0.81 | MAPT (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL30402328 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL17544367 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL18668409 | 0.81 | MAPT (0.40) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL16389693 | 0.81 | SMN1; SMN2 (0.43) | KDM4EALDH1A1MAPTLMNAMAPK1 | |
| SCHEMBL15991274 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10MAPTGMNN | |
| SCHEMBL16632434 | 0.79 | NPSR1 (0.41) | KDM4EALDH1A1HSD17B10TSHRMAPK1 |
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-117800949-A | Pyrimidine-containing polycyclic derivative, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-02 | — | — | CN | disclosed |