Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 11/20 | 1.00 |
| ▸ | MEN1 | O00255 | 10/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 14/20 | 0.70 |
| ▸ | HPGD | P15428 | 4/20 | 0.70 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | HTT | P42858 | 5/20 | 0.62 |
| ▸ | RAD52 | P43351 | 2/20 | 0.62 |
| ▸ | MITF | O75030 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 9/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.59 |
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685608 | 0.89 | ALDH1A1 (0.80) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL4917849 | 0.83 | KMT2A (0.70) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL6681064 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL3456311 | 0.81 | MEN1 (1.00) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL3456310 | 0.81 | MEN1 (1.00) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL6682370 | 0.80 | HDAC1 (0.77) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL12328695 | 0.80 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL12297555 | 0.80 | ALDH1A1 (0.66) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL14133039 | 0.80 | KMT2A (0.68) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL6670526 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1KDM4EHPGD |
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-112679470-B | (E) -1-phenyl-4-alkenyl-1H-pyrazole compound and medical application thereof | 中国药科大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-112679470-A | (E) -1-phenyl-4-alkenyl-1H-pyrazole compound and medical application thereof | 中国药科大学 | 2021-04-20 | — | — | CN | disclosed |