Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28300693 | 0.78 | LMNA (0.40) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL27858144 | 0.77 | TSHR (0.44) | ALDH1A1RAB9ANPC1TSHRTP53 | |
| SCHEMBL4763651 | 0.74 | TSHR (0.47) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL5363086 | 0.74 | ALDH1A1 (0.63) | ALDH1A1MAPTTSHRTP53LMNA | |
| SCHEMBL14931686 | 0.73 | HPGDS (0.56) | SMN1; SMN2 | |
| SCHEMBL27990278 | 0.73 | LMNA (0.40) | RAB9ANPC1TSHRLMNA | |
| SCHEMBL21261781 | 0.73 | TSHR (0.53) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL213819 | 0.72 | TSHR (0.57) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL18328175 | 0.72 | TSHR (0.57) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL28159387 | 0.72 | TSHR (0.57) | ALDH1A1MAPTRAB9ANPC1TSHR |
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-113979955-B | Preparation method of heterocyclic ester compound | 河南农业大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-113979955-A | Preparation method of heterocyclic ester compound | 河南农业大学 | 2022-01-28 | — | — | CN | disclosed |