Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1721598 | 0.77 | TSHR (0.42) | PDE7ALMNAHTR2AAKR1B1 | |
| SCHEMBL1721595 | 0.77 | AKR1B1 (0.47) | HTR2AKMT2AAKR1B1 | |
| SCHEMBL30747315 | 0.76 | TNKS (0.45) | PDE7ACHRNA7 | |
| SCHEMBL23855524 | 0.75 | TSHR (0.44) | HTR2ADRD2SLC6A2HTR2CSLC6A4 | |
| SCHEMBL29386234 | 0.75 | TSHR (0.44) | HTR2ADRD2SLC6A2HTR2CSLC6A4 | |
| SCHEMBL28442386 | 0.75 | TSHR (0.44) | HTR2ADRD2SLC6A2HTR2CSLC6A4 | |
| SCHEMBL22541598 | 0.72 | HTR2A (0.47) | HTR2ADRD2SLC6A2HTR2CSLC6A4 | |
| SCHEMBL29674233 | 0.72 | HTR2A (0.47) | HTR2ADRD2SLC6A2HTR2CSLC6A4 | |
| SCHEMBL2244008 | 0.70 | HTR2A (0.41) | PDE7AHTR2ADRD2SLC6A2HTR2C | |
| SCHEMBL14522963 | 0.68 | HTR2A (0.51) | HTR2ADRD2SLC6A2HTR2CSLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720466-A | 2 '-acetyl-2', 3 '-dihydro-4'H-spiro [ cyclohexane-1, 1 '-isoquinoline ] -4' -ketone compound and preparation method and application thereof | 承德医学院 | 2024-03-19 | — | — | CN | claimed |
| CN-117720466-A | 2 '-acetyl-2', 3 '-dihydro-4'H-spiro [ cyclohexane-1, 1 '-isoquinoline ] -4' -ketone compound and preparation method and application thereof | 承德医学院 | 2024-03-19 | — | — | CN | disclosed |