Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN11A | Q9UI33 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22940345 | 0.92 | CHRM5 (0.46) | CHRM5ADRA2CACHESIGMAR1SMN1; SMN2 | |
| SCHEMBL25803004 | 0.88 | CHRM5 (0.67) | CHRM5ADRA2CACHESIGMAR1SMN1; SMN2 | |
| SCHEMBL18740713 | 0.86 | — | — | |
| SCHEMBL23598108 | 0.84 | CACNA2D1 (0.42) | CHRM5ADRA2CACHEDRD2 | |
| SCHEMBL22940513 | 0.84 | NCF1 (0.45) | CHRM5ADRA2CACHEKCNH2SIGMAR1 | |
| SCHEMBL24803106 | 0.84 | CHRM5 (0.40) | CHRM5ADRA2CACHESIGMAR1DRD2 | |
| SCHEMBL23816122 | 0.84 | CHRM5 (0.40) | CHRM5ADRA2CACHESIGMAR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7331633 | 0.83 | CHRM5 (0.57) | CHRM5ADRA2CACHESCN1ASCN4A | |
| SCHEMBL23173752 | 0.83 | ACHE (0.42) | CHRM5ADRA2CACHESIGMAR1SMN1; SMN2 | |
| SCHEMBL23816614 | 0.83 | CHRM5 (0.39) | CHRM5ADRA2CACHESIGMAR1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4008719-A2 | PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2022-06-08 | — | — | EP | disclosed |
| EP-3145929-B1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-01-13 | — | — | EP | disclosed |
| WO-2020259724-A2 | PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR | 上海医药集团股份有限公司 | 2020-12-30 | — | — | WO | disclosed |
| EP-3322706-B1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2020-11-11 | — | — | EP | disclosed |
| EP-3019493-B1 | MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES | Bayer Pharma AG (DE) | 2017-06-14 | — | — | EP | disclosed |