Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14518464 | 0.91 | HDAC4 (0.51) | ALDH1A1HPGDMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL1003249 | 0.85 | ALDH1A1 (0.58) | ALDH1A1HPGDMAPTTRPM8MEN1 | |
| SCHEMBL13758037 | 0.83 | MMP13 (0.49) | ALDH1A1HPGDMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL4499400 | 0.83 | ESRRG (0.51) | ALDH1A1TP53TSHRHPGDMAPT | |
| SCHEMBL17285683 | 0.82 | MAPT (0.71) | ALDH1A1HPGDMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL2531849 | 0.82 | HDAC4 (0.46) | ALDH1A1HPGDMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL12101326 | 0.82 | HDAC4 (0.47) | ALDH1A1HPGDMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL8429483 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDHDAC4SMN1; SMN2NAMPT | |
| SCHEMBL15218743 | 0.82 | NSD2 (0.54) | ALDH1A1HDAC4SMN1; SMN2NAMPTRAB9A | |
| SCHEMBL25526179 | 0.82 | LMNA (0.48) | ALDH1A1TSHRHPGDMAPTHDAC4 |
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-116354931-A | Substituted oxazole derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-110759889-B | 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2022-05-20 | — | — | CN | disclosed |
| CN-110759889-A | 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2020-02-07 | — | — | CN | disclosed |