Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 2/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL625415 | 1.00 | KCNH2 (0.39) | KCNH2ITGB2ICAM1ITGALDPP4 | |
| SCHEMBL3585534 | 0.84 | KCNH2 (0.42) | KCNH2ITGB2ICAM1ITGALDPP4 | |
| SCHEMBL29960320 | 0.84 | KCNH2 (0.42) | KCNH2ITGB2ICAM1ITGALDPP4 | |
| SCHEMBL24115366 | 0.83 | PSMB5 (0.41) | KCNH2HTR2AMEN1KMT2APSMB8 | |
| SCHEMBL31028098 | 0.78 | KDM4C (0.45) | LMNAHTTHTR1AMAP3K14 | |
| SCHEMBL31028041 | 0.78 | KDM4C (0.45) | HTR1A | |
| SCHEMBL3585379 | 0.77 | ITGB2 (0.41) | KCNH2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL22143980 | 0.77 | KCNH2 (0.43) | KCNH2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL19141630 | 0.77 | ITGB2 (0.41) | KCNH2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL4223377 | 0.77 | ITGB2 (0.41) | KCNH2ITGB2ICAM1ITGALLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118546047-B | Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon | 北京师范大学 | 2025-02-07 | — | — | CN | disclosed |
| CN-118546047-A | Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon | 北京师范大学 | 2024-08-27 | — | — | CN | disclosed |
| WO-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |