Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 3/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.41 |
| ▸ | BACE1 | P56817 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9545094 | 0.87 | ADRB3 (0.43) | FFAR1FFAR4RXRANR1H2ADRB3 | |
| SCHEMBL4468296 | 0.85 | ADRB3 (0.59) | ADRB1ADRB3ADRB2ADRA1DADRA1A | |
| SCHEMBL4462538 | 0.85 | ADRB3 (0.60) | ADRB1ADRB3BACE1ADRB2ADRA1D | |
| SCHEMBL4468301 | 0.85 | ADRB3 (0.59) | ADRB1ADRB3ADRB2ADRA1DADRA1A | |
| SCHEMBL4479032 | 0.85 | ADRB3 (0.60) | ADRB1ADRB3ADRB2ADRA1DADRA1A | |
| SCHEMBL4462534 | 0.85 | ADRB3 (0.60) | ADRB1ADRB3BACE1ADRB2ADRA1D | |
| SCHEMBL4462017 | 0.84 | ADRB3 (0.61) | ADRB1ADRB3ADRB2ADRA1DADRA1A | |
| SCHEMBL4462013 | 0.84 | ADRB3 (0.61) | ADRB1ADRB3ADRB2ADRA1DADRA1A | |
| SCHEMBL4465633 | 0.83 | ADRB1 (0.63) | ADRB1ADRB3BACE1ADRB2ADRA1D | |
| SCHEMBL5669215 | 0.83 | ADRB3 (0.61) | ADRB1ADRB3BACE1ADRB2ADRA1D |
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-1993010074-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS BETA-3-ADRENOCEPTOR AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-05-27 | — | — | WO | disclosed |