Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17758155 | 0.78 | HSD11B1 (0.50) | ALDH1A1HPGDSMN1; SMN2PYCR1EPHX2 | |
| SCHEMBL1004649 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL505778 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL4485529 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL16242064 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL4141280 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7223619 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL8056783 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL5048072 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL3274471 | 0.75 | CA1 (0.55) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112368268-B | Phenyl bitriazole MLL1-WDR5 protein-protein interaction inhibitor | 中国药科大学 | 2025-03-04 | — | — | CN | disclosed |
| EP-3786157-B1 | PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR | UNIV CHINA PHARMA (CN) | 2024-08-07 | — | — | EP | disclosed |
| EP-3786157-A1 | PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR | China Pharmaceutical University (CN) | 2021-03-03 | — | — | EP | disclosed |