Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | UGT2B17 | O75795 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL25837969 | 0.87 | CHRM2 (0.40) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL30068675 | 0.83 | L3MBTL1 (0.34) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL30068946 | 0.77 | CHRM5 (0.40) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL25838459 | 0.76 | — | — | |
| SCHEMBL25838495 | 0.74 | KCNH2 (0.33) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL25302799 | 0.74 | L3MBTL1 (0.33) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL25302800 | 0.74 | L3MBTL1 (0.33) | CHRM2CHRM5CHRM3CHRM1CHRM4 | |
| SCHEMBL25838324 | 0.74 | LMNA (0.40) | MEN1KMT2ATP53 | |
| SCHEMBL25842448 | 0.74 | — | — | |
| SCHEMBL25299934 | 0.73 | MAP3K12 (0.38) | — |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |