Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL29280913 | 0.94 | CACNA1I (0.52) | CACNA1IHTR2AHTR2CKCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29280886 | 0.89 | F10 (0.47) | CACNA1IHTR2AHTR2CKCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29280897 | 0.87 | GABRA5 (0.43) | CACNA1IHTR2AHTR2CKCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29280876 | 0.85 | CACNA1I (0.47) | CACNA1IHTR2AHTR2CKCNH2ACHE | |
| Trifluoroacetic Acid SCHEMBL29280946 | 0.85 | HTR2A (0.41) | CACNA1IHTR2AHTR2CKCNH2ALDH1A1 | |
| SCHEMBL29280915 | 0.84 | HTR2A (0.61) | HTR2AHTR2CKCNH2CHRM4KDM4E | |
| Trifluoroacetic Acid SCHEMBL29280925 | 0.83 | MEN1 (0.49) | HTR2AHTR2CKCNH2ALDH1A1RORC | |
| Trifluoroacetic Acid SCHEMBL29280875 | 0.83 | GSK3B (0.49) | CACNA1IKCNH2ALDH1A1KMT2AACHE | |
| Trifluoroacetic Acid SCHEMBL29280867 | 0.83 | GABRA5 (0.48) | CACNA1IKCNH2EPHX2RORCHDAC6 | |
| SCHEMBL29280933 | 0.82 | F10 (0.51) | HTR2AHTR2CKCNH2ALDH1A1KMT2A |
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 |