Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29449197 | 0.99 | HTR1A (0.48) | HTR1ATMEM97SIGMAR1ADRA1DADRA1A | |
| SCHEMBL10807843 | 0.91 | GAA (0.49) | HTR1ATMEM97SIGMAR1ADRA1DADRA1A | |
| SCHEMBL27721335 | 0.81 | GRIN1 (0.44) | GRIN1GRIN2ACHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL30904664 | 0.79 | HTR1A (0.67) | HTR1ATMEM97SIGMAR1ADRA1DADRA1A | |
| Oxapium SCHEMBL24857 | 0.75 | CTDSP1 (0.47) | GRIN1GRIN2ACHRM2CHRM4CHRM5 | |
| Oxapium SCHEMBL1316687 | 0.74 | CTDSP1 (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10807846 | 0.72 | CHRM2 (0.39) | HTR1AADRA1AADRA2CGRIN1GRIN2A | |
| SCHEMBL14039627 | 0.71 | CHRM2 (0.43) | GRIN1GRIN2ACHRM2CHRM4CHRM5 | |
| SCHEMBL10759760 | 0.71 | TMEM97 (0.49) | HTR1ATMEM97SIGMAR1ADRA1DADRA1A | |
| SCHEMBL28130300 | 0.70 | HTR1A (0.47) | HTR1ATMEM97SIGMAR1ADRA1DADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57139075-A | — | — | None | — | — | JP | disclosed |
| JP-S57139075-A | SEPARATION OF STEREOISOMER OF IODINATED 1-((2-CYCLOHEXYL- 2-PHENYL-1,3-DIOXOLAN-4-YL)METHYL)-1-METHYL-PIPERIDINIUM | SANPO KAGAKU KOGYO KK | 1982-08-27 | — | — | JP | disclosed |