Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 7/20 | 0.63 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.63 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28638616 | 0.87 | CHRM2 (0.50) | CHRM2CHRM3CHRM4CHRM1HDAC1 | |
| SCHEMBL29930736 | 0.80 | CHRM2 (0.80) | CHRM2CHRM3CHRM4CHRM1HPGD | |
| SCHEMBL28191441 | 0.77 | HDAC1 (0.46) | HDAC1HDAC8HDAC6NPSR1PDK1 | |
| SCHEMBL21198484 | 0.76 | HDAC1 (0.55) | CHRM2CHRM3CHRM4CHRM1HDAC1 | |
| SCHEMBL16620084 | 0.75 | TUBB4A (0.44) | CHRM2CHRM3CHRM4CHRM1HDAC1 | |
| SCHEMBL29930800 | 0.74 | CHRM2 (1.00) | CHRM2CHRM3CHRM4CHRM1HDAC1 | |
| SCHEMBL28643422 | 0.73 | CHRM2 (1.00) | CHRM2CHRM3CHRM4CHRM1HPGD | |
| SCHEMBL29930254 | 0.73 | CHRM2 (1.00) | CHRM2CHRM3CHRM4CHRM1HPGD | |
| SCHEMBL2320275 | 0.73 | NOS3 (0.48) | HDAC1HDAC8HDAC6ALDH1A1KMT2A | |
| SCHEMBL29930459 | 0.71 | CHRM2 (1.00) | CHRM2CHRM3CHRM4CHRM1HPGD |
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-113527172-B | M2 acetylcholine receptor antagonists and uses thereof | 上海交通大学医学院附属仁济医院 | 2022-10-25 | — | — | CN | disclosed |