Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9577914 | 0.82 | CYP1A2 (0.55) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL10257166 | 0.80 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL7502790 | 0.80 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL4555631 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL9817478 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL684787 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL924297 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL4827932 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL5419272 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 | |
| SCHEMBL3416721 | 0.80 | CYP2D6 (0.63) | CYP2C19CYP1A2CYP2C9TRPA1CYP2D6 |
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-3215443-A | — | — | None | — | — | JP | disclosed |
| JP-H03215443-A | OPTICALLY ACTIVE KETONE, ALCOHOL AND PREPARATION OF OPTICALLY ACTIVE OXYPHENE WITH SAME ALCOHOL | KANEGAFUCHI CHEM IND CO LTD | 1991-09-20 | — | — | JP | disclosed |