Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM5D | Q9BY66 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 3/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 3/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30478866 | 1.00 | SYK (0.39) | SYKHRH3HCAR3PARP1FGFR3 | |
| SCHEMBL31140636 | 0.81 | NNMT (0.49) | SYKHRH3HCAR3FGFR3IKBKB | |
| SCHEMBL25239937 | 0.81 | NNMT (0.49) | SYKHRH3HCAR3FGFR3IKBKB | |
| SCHEMBL25237620 | 0.80 | SYK (0.38) | SYKHRH3HCAR3FGFR3IKBKB | |
| SCHEMBL31140634 | 0.80 | SYK (0.38) | SYKHRH3HCAR3FGFR3IKBKB | |
| SCHEMBL25776387 | 0.78 | HSP90AA1 (0.44) | SYKHRH3HCAR3FGFR3IKBKB | |
| SCHEMBL25280140 | 0.75 | SYK (0.47) | SYKHRH3PARP1CSF1RHCRTR1 | |
| SCHEMBL30478879 | 0.75 | SYK (0.47) | SYKHRH3PARP1CSF1RHCRTR1 | |
| SCHEMBL3465544 | 0.73 | HCAR3 (0.57) | HRH3HCAR3KDM5AKDM5CKDM5D | |
| SCHEMBL23775232 | 0.70 | NNMT (0.62) | HCAR3PARP1NNMT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |