Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21302003 | 1.00 | KCNQ2 (0.45) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL21301987 | 0.92 | P2RX7 (0.46) | ACHEMETSMN1; SMN2HTTNPSR1 | |
| SCHEMBL30516387 | 0.92 | P2RX7 (0.46) | ACHEMETSMN1; SMN2HTTNPSR1 | |
| SCHEMBL22712832 | 0.90 | CCNT1 (0.49) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL30516374 | 0.90 | CCNT1 (0.49) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL4614667 | 0.89 | ACHE (0.43) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL21301932 | 0.88 | ACHE (0.47) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL30516377 | 0.88 | ACHE (0.47) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL21301986 | 0.87 | MAPK8 (0.47) | KCNQ2ACHEMETSMN1; SMN2HTT | |
| SCHEMBL30516368 | 0.87 | MAPK8 (0.47) | KCNQ2ACHEMETSMN1; SMN2HTT |
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-112041300-B | Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists | 阿达梅德制药公司 | 2023-07-28 | — | — | CN | disclosed |