Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL82057 | 0.85 | MTNR1A (0.45) | MTNR1AMTNR1BCYP2D6LMNACYP1A2 | |
| SCHEMBL396913 | 0.78 | CHRM2 (0.51) | CHRM2CHRM1CHRM3OPRM1GRIN2D | |
| SCHEMBL586057 | 0.72 | PPARA (0.58) | CHRM2CHRM1CHRM3KDM4EPPARG | |
| Phosphonic Acid SCHEMBL29035527 | 0.72 | CHRM2 (0.46) | CHRM2CHRM1CHRM3OPRM1GRIN2D | |
| SCHEMBL29444643 | 0.71 | PPARA (0.54) | CHRM1DRD3CYP2D6LMNACYP1A2 | |
| SCHEMBL27965739 | 0.71 | ESR1 (0.52) | CHRM2CHRM1CHRM3OPRM1GRIN2D | |
| SCHEMBL16404283 | 0.71 | LMNA (0.40) | MTNR1AMTNR1BCYP2D6LMNACYP1A2 | |
| SCHEMBL25825906 | 0.70 | LMNA (0.42) | MTNR1AMTNR1BCYP2D6LMNAKDM4E | |
| SCHEMBL27262733 | 0.69 | CHRM2 (0.55) | CHRM2CHRM1CHRM3OPRM1GRIN2D | |
| SCHEMBL10452446 | 0.69 | KCNN4 (0.51) | CHRM2CHRM1CHRM3OPRM1GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| EP-2072083-B1 | Utilisation of 2.4'-dimethyl-propiophenon as an aroma | SYMRISE AG (DE) | 2012-02-15 | — | — | EP | claimed |