Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 7/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.41 |
| ▸ | WNT3A | P56704 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342443 | 0.93 | CHRM1 (0.50) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL28339934 | 0.90 | CHRM5 (0.48) | CHRM1CHRM3CHRM2KCNH2CTNNB1 | |
| SCHEMBL28342389 | 0.82 | CHRM5 (0.53) | CHRM1CHRM3CHRM2KCNH2CHRM5 | |
| SCHEMBL28342441 | 0.80 | NPC1 (0.46) | — | |
| SCHEMBL31061933 | 0.77 | TAAR1 (0.53) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL11874562 | 0.76 | CYP3A4 (0.57) | CHRM1CHRM3CHRM5SLC6A4CYP3A4 | |
| Hydrochloric Acid SCHEMBL20562494 | 0.76 | TAAR1 (0.51) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL20563758 | 0.75 | LMNA (0.46) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL28840819 | 0.75 | AKR1B1 (0.47) | KCNH2CTNNB1WNT3ACYP3A4CYP2C19 | |
| SCHEMBL31061919 | 0.74 | TAAR1 (0.53) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 |
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-110612299-A | Pyrimidine derivatives as PGE2 receptor modulators | 爱杜西亚药品有限公司 | 2019-12-24 | — | — | CN | disclosed |