Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.76 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29002473 | 0.85 | NR1H4 (0.70) | NR1H4EPHX2HDAC1HDAC6ERCC1 | |
| SCHEMBL5357073 | 0.83 | NR1H4 (0.63) | NR1H4EPHX2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL16127866 | 0.81 | APEX1 (0.71) | NR1H4EPHX2ALDH1A1HPGDKMT2A | |
| SCHEMBL11445833 | 0.78 | NR1H4 (0.61) | NR1H4EPHX2KMT2ASMN1; SMN2MAPK14 | |
| SCHEMBL16088644 | 0.77 | KMT2A (0.60) | NR1H4EPHX2ALDH1A1KMT2A | |
| SCHEMBL3868392 | 0.77 | NR1H4 (0.60) | NR1H4EPHX2HDAC6TDP1ALDH1A1 | |
| SCHEMBL22114088 | 0.77 | HPGD (0.65) | NR1H4EPHX2HDAC1ALDH1A1HPGD | |
| SCHEMBL16589429 | 0.77 | HDAC6 (0.72) | NR1H4EPHX2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL29030199 | 0.77 | NR1H4 (0.58) | NR1H4EPHX2KMT2A | |
| SCHEMBL22060008 | 0.77 | NR1H4 (0.59) | NR1H4EPHX2HDAC1ERCC1ERCC4 |
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-114075187-B | Carbonyl pyrazole antitumor compound as well as preparation method and application thereof | 山东大学 | 2023-05-12 | — | — | CN | disclosed |