Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23884915 | 0.83 | NQO2 (0.47) | KDM4EHPGDALDH1A1L3MBTL1GAA | |
| SCHEMBL27151963 | 0.81 | KDM4E (0.47) | KDM4EHPGDALDH1A1GAAHSD17B10 | |
| SCHEMBL31310191 | 0.81 | KDM4E (0.56) | KDM4EHPGDALDH1A1L3MBTL1TDP1 | |
| SCHEMBL31310092 | 0.81 | KDM4E (0.49) | KDM4EHPGDALDH1A1L3MBTL1TDP1 | |
| SCHEMBL30823904 | 0.81 | KDM4E (0.47) | KDM4EHPGDALDH1A1GAAHSD17B10 | |
| SCHEMBL13590587 | 0.78 | ALDH1A1 (0.45) | KDM4EHPGDALDH1A1TDP1KMT2A | |
| SCHEMBL4174949 | 0.75 | SMN1; SMN2 (0.58) | KDM4EHPGDALDH1A1L3MBTL1KMT2A | |
| SCHEMBL28478763 | 0.74 | NPSR1 (0.50) | KDM4EHPGDALDH1A1L3MBTL1TDP1 | |
| SCHEMBL12500156 | 0.74 | NPC1 (0.57) | KDM4EHPGDALDH1A1L3MBTL1TDP1 | |
| SCHEMBL31310214 | 0.73 | KDM4E (0.42) | KDM4EHPGDALDH1A1L3MBTL1TDP1 |
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-114907318-B | Isonicotinic acid-pyrazole derivative and preparation method and application thereof | 郑州大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-114907318-A | Isonicotinic acid-pyrazole derivative and preparation method and application thereof | 郑州大学 | 2022-08-16 | — | — | CN | disclosed |