Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 7/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | KRAS | P01116 | 4/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29930198 | 0.87 | IDO1 (0.53) | IDO1KRASHTR7NTSR1GRIN2B | |
| SCHEMBL29930872 | 0.87 | CHRM2 (0.63) | CHRM2CHRM3CHRM4CHRM1IDO1 | |
| SCHEMBL20604745 | 0.76 | KMT2A (0.56) | KRASNTSR1GRIN2B | |
| SCHEMBL28928351 | 0.72 | CHRM2 (0.75) | CHRM2CHRM3CHRM4CHRM1GRIN2B | |
| SCHEMBL20786909 | 0.71 | KDM4E (0.50) | IDO1F10NPC1HPGDSMN1; SMN2 | |
| SCHEMBL6840419 | 0.70 | F2 (0.54) | GRIN2B | |
| SCHEMBL20676201 | 0.70 | KRAS (0.47) | CHRM2CHRM3CHRM4CHRM1IDO1 | |
| SCHEMBL29930736 | 0.69 | CHRM2 (0.80) | CHRM2CHRM3CHRM4CHRM1HPGD | |
| SCHEMBL418013 | 0.68 | KMT2A (0.60) | KRASHTR7NTSR1 | |
| SCHEMBL2008953 | 0.67 | HTR2A (0.55) | KRASHTR7NTSR1 |
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 2 patents. 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 |
| CN-113527172-A | M2 acetylcholine receptor antagonists and uses thereof | 上海交通大学医学院附属仁济医院 | 2021-10-22 | — | — | CN | disclosed |