Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6677350 | 0.89 | CYP2D6 (0.45) | KCNH2ESR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6676499 | 0.73 | ESR1 (0.44) | KCNH2ESR1TRPV1SMN1; SMN2PTGDR2 | |
| SCHEMBL6676768 | 0.72 | ADRB1 (0.43) | KCNH2ESR1CYP2C9SMN1; SMN2ADRB1 | |
| SCHEMBL6676771 | 0.72 | ADRB1 (0.43) | KCNH2ESR1CYP2C9SMN1; SMN2ADRB1 | |
| SCHEMBL6541155 | 0.71 | MTNR1A (0.48) | KCNH2ESR1KMT2A | |
| SCHEMBL6676699 | 0.71 | MTNR1A (0.48) | KCNH2ESR1KMT2A | |
| SCHEMBL6804630 | 0.70 | ACACB (0.48) | KCNH2ESR1CYP2D6CYP2C9KMT2A | |
| SCHEMBL9459072 | 0.67 | ESR1 (0.60) | KCNH2ESR1KMT2A | |
| SCHEMBL6677355 | 0.67 | ACACB (0.45) | KCNH2ESR1CYP2C9SMN1; SMN2ADRB1 | |
| SCHEMBL6677349 | 0.67 | ACACB (0.45) | KCNH2ESR1CYP2C9SMN1; SMN2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |