Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17395028 | 1.00 | TRPA1 (0.40) | TRPA1NSD2NSD3ALDH1A1MAPT | |
| SCHEMBL17992210 | 0.86 | TRPA1 (0.39) | TRPA1NSD2NSD3DGAT1CHEK1 | |
| SCHEMBL19767081 | 0.86 | AR (0.39) | TRPA1NSD2NSD3DGAT1CHEK1 | |
| SCHEMBL17992321 | 0.83 | HTT (0.41) | TRPA1NSD2NSD3ALDH1A1MAPT | |
| SCHEMBL29620884 | 0.78 | TRPA1 (0.55) | TRPA1ALDH1A1MAPTDGAT1KCNH2 | |
| SCHEMBL10329121 | 0.78 | TRPA1 (0.55) | TRPA1ALDH1A1MAPTDGAT1KCNH2 | |
| SCHEMBL22120385 | 0.77 | NSD2 (0.49) | NSD2NSD3ALDH1A1CHEK1L3MBTL1 | |
| SCHEMBL2323409 | 0.77 | MAOB (0.48) | ALDH1A1MAPTGPR3SCN5AKDM4E | |
| SCHEMBL795973 | 0.77 | ALDH1A1 (0.43) | TRPA1ALDH1A1DGAT1CHEK1 | |
| SCHEMBL27001727 | 0.76 | NSD2 (0.46) | NSD2NSD3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4232449-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | Celgene Corporation (US) | 2023-08-30 | — | — | EP | disclosed |
| WO-2022087326-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | CELGENE CORPORATION (US) | 2022-04-28 | — | — | WO | disclosed |