Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 12/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | GRK2 | P25098 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PKLR | P30613 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 3/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30579886 | 0.83 | TDP1 (0.64) | NPBWR1MCHR1PKMTDP1ALDH1A1 | |
| SCHEMBL5863967 | 0.83 | TDP1 (0.56) | AURKAGRK2ROCK1RPS6KA1PKM | |
| SCHEMBL28899217 | 0.82 | MAPT (0.52) | NPBWR1AURKAGRK2ROCK1RPS6KA1 | |
| SCHEMBL20401464 | 0.81 | QPCT (0.48) | NPBWR1AURKAMCHR1BRD4PDE1A | |
| SCHEMBL29447767 | 0.81 | QPCT (0.48) | NPBWR1AURKAMCHR1BRD4PDE1A | |
| SCHEMBL22226011 | 0.80 | NPBWR1 (0.62) | NPBWR1AURKAGRK2ROCK1RPS6KA1 | |
| SCHEMBL25432622 | 0.79 | NPBWR1 (0.55) | NPBWR1MCHR1PKMPKLRPDE1A | |
| SCHEMBL31513500 | 0.79 | NPBWR1 (0.55) | NPBWR1MCHR1PKMPKLRPDE1A | |
| SCHEMBL4679664 | 0.76 | NPBWR1 (0.61) | NPBWR1MCHR1PKMPKLRPDE1A | |
| SCHEMBL25431853 | 0.76 | NPBWR1 (0.52) | NPBWR1MCHR1PKMPKLRBRD4 |
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-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |