Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29675858 | 0.85 | NPSR1 (0.39) | MAPK1ADORA2APGK1PGK2SMN1; SMN2 | |
| SCHEMBL18765685 | 0.84 | GAA (0.46) | MAPK1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL31592678 | 0.84 | GAA (0.46) | MAPK1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL29675928 | 0.83 | KCNH2 (0.40) | MAPK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29675981 | 0.82 | CACNA1C (0.41) | MAPK1GAASMN1; SMN2PIN1NPC1 | |
| SCHEMBL18766184 | 0.82 | CACNA1C (0.41) | MAPK1GAASMN1; SMN2PIN1NPC1 | |
| SCHEMBL23343856 | 0.81 | MAPK1 (0.40) | MAPK1GAAADORA2ASMN1; SMN2RIPK1 | |
| Hydrochloric Acid SCHEMBL29676873 | 0.80 | MAPK1 (0.39) | MAPK1GAAADORA2ASMN1; SMN2RIPK1 | |
| SCHEMBL29676835 | 0.77 | MAPK1 (0.38) | MAPK1CYP1A2CYP3A4CYP2C9GAA | |
| SCHEMBL19323950 | 0.77 | ALDH1A1 (0.49) | MAPK1CYP1A2CYP3A4CYP2C19GAA |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |