Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28068423 | 1.00 | CYP3A4 (0.38) | CYP3A4TSHRCYP2C19CYP2D6HDAC3 | |
| SCHEMBL28507298 | 0.86 | HDAC3 (0.44) | CYP3A4TSHRCYP2C19CYP2D6HDAC3 | |
| SCHEMBL14524872 | 0.86 | HDAC3 (0.44) | CYP3A4TSHRCYP2C19CYP2D6HDAC3 | |
| SCHEMBL16903727 | 0.80 | CYP2D6 (0.41) | CYP2C19CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL27923564 | 0.80 | CYP2D6 (0.41) | CYP2C19CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL1171593 | 0.80 | CYP2D6 (0.41) | CYP2C19CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL1135983 | 0.80 | CYP2D6 (0.41) | CYP2C19CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL29223109 | 0.78 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6873754 | 0.78 | GABRR1 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1135909 | 0.78 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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-105503815-A | Preparation method of synthetic intermediate of Lipitor | UNIV LANZHOU | 2016-04-20 | — | — | CN | disclosed |