Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6552642 | 0.92 | KCNH2 (0.42) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6553145 | 0.92 | KCNH2 (0.42) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6552709 | 0.91 | KCNH2 (0.36) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6678498 | 0.91 | NR1H3 (0.37) | KCNH2ADRB3TAS2R14ALDH1A1MAPT | |
| SCHEMBL6540841 | 0.88 | KCNH2 (0.47) | KCNH2ADRB3CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6541224 | 0.87 | ADRB3 (0.44) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6541231 | 0.87 | ADRB3 (0.44) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6541610 | 0.87 | ADRB3 (0.44) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6541603 | 0.87 | ADRB3 (0.44) | KCNH2ADRB3TAS2R14CYP1A2CYP2D6 | |
| SCHEMBL6540725 | 0.87 | ADRB3 (0.53) | KCNH2ADRB3CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1389185-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002094770-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-28 | — | — | WO | disclosed |