Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2400874 | 0.81 | EDNRA (0.37) | POLBALDH1A1LMNATSHRKDM4E | |
| SCHEMBL27402999 | 0.81 | ALDH1A1 (0.37) | HTTPOLBALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL3312303 | 0.74 | BRD4 (0.39) | ALDH1A1SMN1; SMN2TDP1LMNATSHR | |
| SCHEMBL11390880 | 0.73 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2TDP1LMNATSHR | |
| SCHEMBL27956295 | 0.72 | KDM4E (0.42) | HTTPOLBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27324528 | 0.71 | EDNRA (0.52) | POLBALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL16681764 | 0.70 | CYP2C9 (0.36) | POLBALDH1A1SMN1; SMN2TDP1LMNA | |
| SCHEMBL21585542 | 0.70 | ALDH1A1 (0.47) | HTTALDH1A1SMN1; SMN2TDP1LMNA | |
| SCHEMBL106257 | 0.70 | HDAC4 (0.57) | HTTPOLBALDH1A1LMNATSHR | |
| SCHEMBL14378389 | 0.68 | LMNA (0.33) | ALDH1A1LMNATSHRHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115557888-A | Method for preparing quinoline derivative by photocatalysis of N-aryl glycine ester | 安徽理工大学 | 2023-01-03 | — | — | CN | disclosed |