Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5554310 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL30593302 | 0.89 | TLR8 (0.56) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL2638413 | 0.89 | TLR8 (0.56) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL3662937 | 0.87 | DNM2 (0.50) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL8521658 | 0.85 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL11862008 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL30481544 | 0.82 | CYP2C9 (0.51) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL21299851 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL32678778 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 | |
| SCHEMBL32678782 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP2D6CYP2C19HTTCYP1A2 |
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-109071526-B | Acid addition salts of piperazine derivatives | 阿森纽荣股份公司 | 2023-02-28 | — | — | CN | disclosed |