Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | GPR6 | P46095 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29280931 | 0.93 | GSK3B (0.42) | GRIN1GRIN2BGSK3BKCNH2LMNA | |
| Trifluoroacetic Acid SCHEMBL29280947 | 0.93 | F10 (0.45) | ALDH1A1SMN1; SMN2GSK3BLMNADRD2 | |
| Trifluoroacetic Acid SCHEMBL29280900 | 0.93 | GSK3B (0.42) | GSK3BHTR4KCNH2DRD2DRD4 | |
| Trifluoroacetic Acid SCHEMBL29280904 | 0.92 | GSK3B (0.45) | GSK3BHTR4HTR2AHTR2CKCNH2 | |
| Trifluoroacetic Acid SCHEMBL29280873 | 0.90 | GPR6 (0.46) | GPR6 | |
| Trifluoroacetic Acid SCHEMBL29280926 | 0.89 | KDM4E (0.45) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL30839993 | 0.89 | DRD2 (0.48) | KDM4EGSK3BDRD2DRD4GPR6 | |
| Trifluoroacetic Acid SCHEMBL29280914 | 0.89 | KDM4E (0.42) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL29280895 | 0.87 | PDE6D (0.45) | ALDH1A1TSHRSMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL30843801 | 0.87 | PDE6D (0.45) | ALDH1A1TSHRSMN1; SMN2GRIN1GRIN2B |
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-117820199-A | Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors | 瀚远医药有限公司 | 2024-04-05 | — | — | CN | disclosed |