Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 3/20 | 0.49 |
| ▸ | BCHE | P06276 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27691816 | 0.91 | ALB (0.45) | ALBBCHEACHESLC6A3SIGMAR1 | |
| SCHEMBL17117346 | 0.77 | SIGMAR1 (0.51) | SIGMAR1MAPTPOLBDAOTSHR | |
| SCHEMBL28547803 | 0.76 | MCHR1 (0.47) | ACHESLC6A3SIGMAR1MAPTMCHR1 | |
| SCHEMBL8641699 | 0.76 | SLC6A3 (0.45) | ALBBCHEACHESLC6A3SIGMAR1 | |
| SCHEMBL4281294 | 0.76 | POLB (0.51) | SLC6A3SIGMAR1MAPTPOLBDAO | |
| SCHEMBL6280977 | 0.76 | DDB1 (0.51) | SIGMAR1MAPTPOLBCYP2D6MEN1 | |
| 2-Pyrrolidone SCHEMBL11038232 | 0.74 | L3MBTL1 (0.48) | ALBBCHEACHEMAPTMCHR1 | |
| SCHEMBL10700241 | 0.73 | ADAMTS5 (0.43) | ACHESIGMAR1MAPTLMNATSHR | |
| SCHEMBL28141751 | 0.73 | ACHE (0.46) | ACHESLC6A3SIGMAR1HDAC3HDAC4 | |
| SCHEMBL2132367 | 0.72 | L3MBTL1 (0.60) | ACHESLC6A3MAPTMCHR1TSHR |
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-105367506-B | Preparation method of chiral high piperazine ring | 华润双鹤药业股份有限公司 | 2021-02-05 | — | — | CN | disclosed |