Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29983676 | 1.00 | PDK1 (0.39) | PDK1CA2ALDH1A1NLRP3LMNA | |
| SCHEMBL16261683 | 0.86 | PDK1 (0.35) | PDK1CA2ALDH1A1NLRP3 | |
| SCHEMBL461346 | 0.82 | CA2 (0.56) | PDK1CA2ALDH1A1NLRP3TP53 | |
| SCHEMBL6575404 | 0.82 | CA2 (0.56) | PDK1CA2ALDH1A1NLRP3TP53 | |
| SCHEMBL8074120 | 0.82 | PDK1 (0.40) | PDK1CA2ALDH1A1NLRP3LMNA | |
| SCHEMBL13642031 | 0.81 | HMGCR (0.36) | CA2 | |
| SCHEMBL27997342 | 0.77 | LMNA (0.37) | ALDH1A1LMNAPOLBCYP3A4 | |
| SCHEMBL9209151 | 0.77 | CA2 (0.36) | CA2TMEM97SIGMAR1 | |
| SCHEMBL5989992 | 0.77 | CA2 (0.41) | CA2 | |
| SCHEMBL29123756 | 0.77 | CA2 (0.34) | CA2TMEM97SIGMAR1 |
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-115160286-A | Novel preparation process of rosuvastatin calcium intermediate | 南通常佑药业科技有限公司 | 2022-10-11 | — | — | CN | disclosed |