Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL378037 | 0.79 | CYP2A6 (0.47) | CYP2A6KIF11LOXL2SIRT1HDAC3 | |
| SCHEMBL12967745 | 0.77 | CYP2A6 (0.50) | CYP2A6KIF11LOXL2SIRT1NR3C1 | |
| SCHEMBL376513 | 0.76 | CYP2A6 (0.45) | CYP2A6KIF11LOXL2SIRT1HDAC3 | |
| SCHEMBL31115552 | 0.76 | CYP2A6 (0.45) | CYP2A6KIF11LOXL2SIRT1HDAC3 | |
| SCHEMBL2648417 | 0.75 | SIRT1 (0.47) | CYP2A6KIF11LOXL2SIRT1HDAC3 | |
| SCHEMBL616859 | 0.75 | CYP2A6 (0.44) | CYP2A6KIF11LOXL2SIRT1 | |
| SCHEMBL8181089 | 0.74 | HRH3 (0.48) | KIF11SIRT1F2 | |
| SCHEMBL12804197 | 0.73 | LOXL2 (0.46) | CYP2A6LOXL2SIRT1NR3C1PGR | |
| SCHEMBL28414980 | 0.73 | LOXL2 (0.58) | LOXL2NR3C1PGRNR3C2 | |
| SCHEMBL9009152 | 0.73 | CYP2A6 (0.41) | CYP2A6KIF11LOXL2HDAC3HDAC1 |
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-109069481-A | Methods and compounds for restoring function of mutant p53 | 皮姆维制药公司 | 2018-12-21 | — | — | CN | disclosed |