Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.36 |
| ▸ | CTSS | P25774 | 9/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28508164 | 0.96 | MCL1 (0.39) | CTSKCTSSMCL1ALDH1A1MEN1 | |
| SCHEMBL2648388 | 0.82 | DGAT1 (0.42) | MEN1KMT2ACYP2D6DGAT1 | |
| SCHEMBL182386 | 0.80 | ALDH1A1 (0.41) | CTSKCTSSMCL1ALDH1A1MEN1 | |
| SCHEMBL28426557 | 0.79 | CTSK (0.34) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL7525865 | 0.76 | ALDH1A1 (0.35) | CTSKCTSSMCL1ALDH1A1MEN1 | |
| SCHEMBL1263607 | 0.76 | TDP1 (0.38) | CTSKALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL5353921 | 0.76 | MCL1 (0.44) | MCL1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL23950300 | 0.75 | CTSS (0.38) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL5691332 | 0.75 | DGAT1 (0.34) | MEN1KMT2ACYP2D6DGAT1 | |
| SCHEMBL5443383 | 0.75 | FAAH (0.38) | MEN1KMT2ACYP2D6DGAT1 |
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-109503542-B | Atorvastatin calcium intermediate and preparation method and application thereof | 浙江宏元药业股份有限公司 | 2020-08-18 | — | — | CN | disclosed |