Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 2/20 | 0.54 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.53 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CCKAR | P32238 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28571893 | 1.00 | KLK7 (0.54) | KLK7LPAR1LPAR3HSD17B10HCAR2 | |
| SCHEMBL8126585 | 0.90 | ALDH1A1 (0.52) | LPAR1LPAR3GRM5MEN1MAPT | |
| SCHEMBL27489901 | 0.89 | KLK7 (0.59) | KLK7LPAR1LPAR3GRM5MEN1 | |
| SCHEMBL27764273 | 0.89 | KLK7 (0.52) | KLK7LPAR1LPAR3GRM5MEN1 | |
| SCHEMBL10076815 | 0.88 | KMT2A (0.51) | KLK7LPAR1LPAR3HSD17B10GRM5 | |
| SCHEMBL10076917 | 0.86 | MAPT (0.50) | KLK7LPAR1LPAR3GRM5MEN1 | |
| SCHEMBL27539120 | 0.86 | ALDH1A1 (0.51) | LPAR1LPAR3HSD17B10MEN1MAPT | |
| SCHEMBL27450197 | 0.85 | HPGD (0.72) | GRM5MEN1MAPTKMT2ALMNA | |
| SCHEMBL27449199 | 0.85 | MTOR (0.61) | GRM5MEN1MAPTKMT2APOLB | |
| SCHEMBL29895995 | 0.84 | LPAR1 (0.53) | KLK7LPAR1LPAR3HCAR2GRM5 |
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-112759545-B | 3- (dimethylamino methyl) piperidine-4-alcohol derivative and preparation method and pharmaceutical application thereof | 复旦大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-112759545-A | 3- (dimethylamino methyl) piperidine-4-alcohol derivative and preparation method and pharmaceutical application thereof | 复旦大学 | 2021-05-07 | — | — | CN | disclosed |