Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 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 | |
|---|---|---|---|---|
| SCHEMBL123838 | 0.81 | TSHR (0.61) | PRKCIENPP2CYP11B1CYP11B2PRSS1 | |
| SCHEMBL10521915 | 0.78 | ESR1 (0.56) | ENPP2ESR1 | |
| Hydrochloric Acid SCHEMBL14334287 | 0.78 | ENPP2 (0.58) | PRKCIENPP2CYP11B1CYP11B2PRSS1 | |
| SCHEMBL7754170 | 0.76 | TAAR1 (0.52) | ESR1CYP11B1CYP11B2 | |
| SCHEMBL283086 | 0.75 | ENPP2 (0.50) | PRKCIENPP2CYP11B1CYP11B2PRSS1 | |
| SCHEMBL10945537 | 0.75 | GRIN2D (0.35) | PRKCIENPP2ESR1NOS3NOS1 | |
| SCHEMBL30152263 | 0.75 | ENPP2 (0.50) | PRKCIENPP2CYP11B1CYP11B2PRSS1 | |
| SCHEMBL8861632 | 0.74 | MGAM (0.47) | PRKCIENPP2CYP11B1CYP11B2PRSS1 | |
| SCHEMBL8861703 | 0.74 | TAAR1 (0.50) | CYP11B1CYP11B2 | |
| SCHEMBL9999688 | 0.74 | ENPP2 (0.54) | PRKCIENPP2CYP11B1CYP11B2PRSS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693668-A | SILYLATED AROMATIC FLUOROKETONES; ALZHEIMER'S DISEASE; SENILE DEMENTIA; MYATHENIA GRAVIS; MUSCULAR DYSTROPHY; GLAUCOMA; TRANSDERMAL PATCHES | MERRELL PHARMACEUTICALS INC. (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0409676-B1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMA (US) | 1995-03-08 | — | — | EP | disclosed |
| EP-0409676-A1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-23 | — | — | EP | disclosed |
| EP-0403713-A1 | Novel acetylcholinesterase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-12-27 | — | — | EP | disclosed |