Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 5/20 | 0.34 |
| ▸ | CHUK | O15111 | 5/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6786636 | 0.81 | BRD9 (0.33) | RENBRD9 | |
| SCHEMBL11101358 | 0.79 | KMT2A (0.41) | RENIKBKBCHUKGRM5BRD4 | |
| SCHEMBL23735763 | 0.78 | USP2 (0.41) | IKBKBCHUKGRM5BRD4TAF1 | |
| SCHEMBL2536694 | 0.78 | AHR (0.41) | RENIKBKBCHUKGRM5BRD4 | |
| SCHEMBL21921427 | 0.78 | AHR (0.41) | RENIKBKBCHUKGRM5BRD4 | |
| SCHEMBL28826606 | 0.76 | CA2 (0.42) | IKBKBCHUKBRD4DAO | |
| SCHEMBL8355157 | 0.75 | REN (0.36) | RENIKBKBCHUKGRM5BRD4 | |
| SCHEMBL24165715 | 0.75 | MEN1 (0.43) | IKBKBCHUKCYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2983533 | 0.75 | ALDH1A1 (0.38) | RENIKBKBCHUKGRM5BRD4 | |
| SCHEMBL16815127 | 0.74 | IKBKB (0.35) | IKBKBCHUKBRD4TAF1BRPF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118852180-A | Alkylated benzo 3, 6-dihydropyrrole [3,2-E ] indole molecule and preparation method, application, hydrogen storage method and hydrogen release method thereof | 北京化工大学 | 2024-10-29 | — | — | CN | disclosed |