Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29280874 | 0.94 | CCR5 (0.49) | CCR5ALDH1A1LMNAKDM4EKCNH2 | |
| SCHEMBL29280887 | 0.92 | KCNH2 (0.45) | CCR5ALDH1A1KCNH2GPR119MEN1 | |
| SCHEMBL29280893 | 0.91 | CCR5 (0.49) | CCR5KCNH2GPR119 | |
| SCHEMBL29280944 | 0.88 | CCR5 (0.51) | CCR5KCNH2GPR119SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL29280888 | 0.86 | KCNH2 (0.46) | CCR5KCNH2GPR119 | |
| Trifluoroacetic Acid SCHEMBL30840001 | 0.86 | KCNH2 (0.46) | CCR5KCNH2GPR119 | |
| Trifluoroacetic Acid SCHEMBL29280945 | 0.85 | CCR5 (0.46) | CCR5KCNH2GPR119 | |
| SCHEMBL29280948 | 0.85 | CCR5 (0.47) | CCR5ALDH1A1KCNH2GPR119GRIN2B | |
| Trifluoroacetic Acid SCHEMBL29280868 | 0.83 | CCR5 (0.48) | CCR5KCNH2GPR119 | |
| SCHEMBL29280906 | 0.77 | CHRM1 (0.41) | CCR5KCNH2GPR119SIGMAR1 |
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 |