Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28649602 | 1.00 | TSHR (0.45) | TSHRALDH1A1NPC1MAPTGRM5 | |
| SCHEMBL21675328 | 0.86 | MEN1 (0.47) | TSHRALDH1A1NPC1MAPTGRM5 | |
| SCHEMBL13028693 | 0.84 | TSHR (0.50) | TSHRALDH1A1NPC1MAPTGRM5 | |
| SCHEMBL31723025 | 0.79 | CES1 (0.60) | TSHRALDH1A1GRM5CES1 | |
| SCHEMBL11475241 | 0.78 | TSHR (0.46) | TSHRALDH1A1NPC1MAPTGRM5 | |
| SCHEMBL30441478 | 0.76 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTSMN1; SMN2RAB9A | |
| SCHEMBL15012407 | 0.76 | KDM4E (0.50) | TSHRALDH1A1PPARASMN1; SMN2KDM4E | |
| SCHEMBL15012155 | 0.76 | KDM4E (0.50) | TSHRALDH1A1PPARASMN1; SMN2KDM4E | |
| Tert-Butanol SCHEMBL27883617 | 0.76 | TSHR (0.71) | TSHRALDH1A1KDM4EPOLBSLC6A2 | |
| SCHEMBL22326223 | 0.75 | NAAA (0.46) | TSHRALDH1A1NPC1MAPTPPARA |
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-114805068-A | Preparation method of chiral alpha-hydroxy-beta-keto ester compound | 南京工业大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-113563187-A | Preparation method of chiral alpha-hydroxy-beta-keto ester compound | 南京工业大学 | 2021-10-29 | — | — | CN | disclosed |