Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | DRD1 | P21728 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | PDE4A | P27815 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28058346 | 0.91 | ACHE (0.68) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Acetic Acid SCHEMBL28281286 | 0.89 | ACHE (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Propionic Acid SCHEMBL1006275 | 0.88 | ACHE (0.59) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Bicarbonate SCHEMBL28058344 | 0.88 | ACHE (0.63) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL34882 | 0.87 | ACHE (0.81) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Acetic Acid SCHEMBL4538473 | 0.86 | ACHE (0.61) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL27784942 | 0.85 | ACHE (0.65) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Formaldehyde SCHEMBL28001350 | 0.85 | ACHE (0.71) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Fluoride Ion SCHEMBL1502795 | 0.84 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Bromide SCHEMBL18062500 | 0.84 | ACHE (0.82) | ACHECHRM2ADRA2AADORA3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102007185-B | Gas barrier composition, coating film, method for producing the gas barrier composition, method for producing the coating film, and multilayer body | MITSUI CHEMICALS INC | 2013-04-24 | — | — | CN | disclosed |
| CN-101171297-B | Gas barrier composition, coating film, method for producing same, and laminate | MITSUI CHEMICALS INC | 2012-04-25 | — | — | CN | disclosed |
| CN-102007185-A | Gas barrier composition, coating film, method for producing the gas barrier composition, method for producing the coating film, and multilayer body | MITSUI CHEMICALS INC | 2011-04-06 | — | — | CN | disclosed |
| CN-101171297-A | Gas barrier composition, coating film, methods for producing those, and multilayer body | MITSUI CHEMICALS INC (JP) | 2008-04-30 | — | — | CN | disclosed |