Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL8265735 | 1.00 | KMT2A (0.37) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL553125 | 0.97 | KMT2A (0.36) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL31441143 | 0.97 | KMT2A (0.36) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL3930544 | 0.97 | KMT2A (0.36) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL16757065 | 0.97 | KMT2A (0.36) | KMT2AGAARAD52MEN1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1828960 | 0.95 | OPRM1 (0.35) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL470816 | 0.92 | KMT2A (0.36) | KMT2AGAARAD52MEN1SIGMAR1 | |
| SCHEMBL4590548 | 0.92 | GAA (0.38) | KMT2AGAARAD52KCNH2 | |
| SCHEMBL30699749 | 0.90 | GAA (0.37) | KMT2AGAARAD52 | |
| SCHEMBL16292102 | 0.81 | GAA (0.51) | KMT2AGAARAD52SIGMAR1MC4R |
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-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |