Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 2/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21865072 | 0.82 | BACE1 (0.43) | TSHRHPGDALDH1A1ALOX15GAA | |
| SCHEMBL21865286 | 0.73 | HSD17B1 (0.52) | TSHRHPGDALDH1A1CASP1CASP7 | |
| SCHEMBL23537930 | 0.73 | SMN1; SMN2 (0.64) | TSHRHPGDALDH1A1GAANPC1 | |
| SCHEMBL25464794 | 0.71 | ALDH1A1 (0.54) | TSHRHPGDALDH1A1ALOX15GAA | |
| SCHEMBL4649483 | 0.71 | MAPT (0.59) | TSHRHPGDALDH1A1ALOX15GAA | |
| SCHEMBL21864799 | 0.71 | AOC3 (0.56) | — | |
| SCHEMBL5616457 | 0.71 | NCF1 (0.52) | ALDH1A1HSD17B10PRKDCPIK3CAMAPT | |
| SCHEMBL10706814 | 0.71 | MAPT (0.47) | TSHRHPGDALDH1A1ALOX15GAA | |
| SCHEMBL5825846 | 0.68 | LGMN (0.67) | TSHRHPGDALDH1A1ALOX15GAA | |
| SCHEMBL6068542 | 0.68 | MAPT (0.53) | TSHRHPGDALDH1A1ALOX15GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |