Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9394372 | 0.67 | PLD1 (0.50) | PLD1EPHX2ALDH1A1HSD17B10HPGD | |
| SCHEMBL6644140 | 0.66 | PLD1 (0.41) | PLD1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL16269572 | 0.63 | CHRM2 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL1514849 | 0.63 | GRIN1 (0.64) | PLD1GRIN1GRIN2AGRIN2BALDH1A1 | |
| SCHEMBL28165722 | 0.62 | PDK2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL30503538 | 0.62 | PDK2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL30473903 | 0.62 | PLD1 (0.38) | PLD1CHRM2CHRM4CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL30473854 | 0.61 | HSD17B10 (0.38) | PLD1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5693401 | 0.61 | ADRA2A (0.36) | PLD1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL17598172 | 0.60 | OPRM1 (0.32) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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-0370560-B1 | Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines | AKZO NV (NL) | 1994-01-12 | — | — | EP | disclosed |