Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.30 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4028120 | 0.79 | DHFR (0.44) | DHFRDCPSFFAR1PTGS2MBOAT4 | |
| SCHEMBL13730395 | 0.77 | DHFR (0.37) | DHFRDCPSFFAR1IRAK4ACACB | |
| SCHEMBL23554569 | 0.77 | ACACB (0.40) | DHFRDCPSPTGS2ACACBCHEK1 | |
| SCHEMBL19364256 | 0.72 | HTT (0.42) | ACACBSLC5A2 | |
| SCHEMBL26454383 | 0.72 | ACACB (0.52) | FFAR1PTGS2EPHX1ACACBSLC5A1 | |
| SCHEMBL26097565 | 0.71 | — | — | |
| SCHEMBL3661103 | 0.70 | GABRA5 (0.39) | DHFRDCPSFFAR1PTGS2MBOAT4 | |
| SCHEMBL23554682 | 0.70 | SLC5A2 (0.33) | SLC5A2 | |
| SCHEMBL15633541 | 0.69 | NNMT (0.44) | PDE10A | |
| SCHEMBL23554543 | 0.68 | ACACB (0.38) | ACACBSLC5A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121294-A1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2021-06-24 | — | — | WO | disclosed |