Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | KRAS | P01116 | 4/20 | 0.50 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
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) | IDO1KRASNTSR1NPC1SMN1; SMN2 | |
| SCHEMBL20604745 | 0.87 | KMT2A (0.56) | KRASNTSR1GRIN2BLMNARAB9A | |
| SCHEMBL20786909 | 0.82 | KDM4E (0.50) | IDO1NPC1SMN1; SMN2HPGDMAPT | |
| SCHEMBL6840419 | 0.81 | F2 (0.54) | GRIN2B | |
| SCHEMBL20676201 | 0.81 | KRAS (0.47) | IDO1KRASNTSR1HTR7LMNA | |
| SCHEMBL418013 | 0.78 | KMT2A (0.60) | KRASNTSR1HTR7HTR2AHTR2C | |
| SCHEMBL2008953 | 0.77 | HTR2A (0.55) | KRASNTSR1HTR7LMNAHTR2A | |
| SCHEMBL698562 | 0.74 | GRIN2B (0.44) | GRIN2BLMNA | |
| SCHEMBL29930457 | 0.74 | GRIN2B (0.60) | GRIN2B | |
| SCHEMBL18363127 | 0.74 | GRIN2B (0.69) | GRIN2B |
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 |