Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 10/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 9/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | YWHAG | P61981 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342373 | 0.93 | CHRM1 (0.44) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL28342389 | 0.89 | CHRM5 (0.53) | CHRM1CHRM3CHRM2CHRM5CHRM4 | |
| SCHEMBL28339934 | 0.82 | CHRM5 (0.48) | CHRM1CHRM3CHRM2CHRM5CHRM4 | |
| SCHEMBL11874562 | 0.79 | CYP3A4 (0.57) | CHRM1CHRM3CHRM5CYP3A4CYP2C19 | |
| SCHEMBL28342441 | 0.78 | NPC1 (0.46) | LMNANPC1RAB9A | |
| SCHEMBL17726436 | 0.77 | CHRM2 (0.55) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL17726330 | 0.77 | TAAR1 (0.56) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL28342439 | 0.77 | LMNA (0.41) | CHRM1CHRM3CHRM2CHRM5CHRM4 | |
| Hydrochloric Acid SCHEMBL20563250 | 0.75 | TAAR1 (0.54) | CHRM1CHRM3CHRM2CHRNB2CHRNA4 | |
| SCHEMBL20563004 | 0.74 | CHRM2 (0.50) | 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 |