Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683745 | 0.90 | ABCB1 (0.44) | ABCB1ADRB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684099 | 0.78 | ABCB1 (0.42) | ABCB1ADRB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684091 | 0.78 | ABCB1 (0.42) | ABCB1ADRB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9683706 | 0.75 | NR1H3 (0.35) | ABCB1MAOBNR1H3ADRB1 | |
| SCHEMBL9811916 | 0.74 | ABCB1 (0.54) | ABCB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9787435 | 0.73 | ABCB1 (0.46) | ABCB1ADRB1CYP2D6 | |
| SCHEMBL9787439 | 0.73 | ABCB1 (0.46) | ABCB1ADRB1CYP2D6 | |
| SCHEMBL10822430 | 0.72 | PNMT (0.43) | PTGER4EPHX1 | |
| SCHEMBL10822433 | 0.72 | PNMT (0.43) | PTGER4EPHX1 | |
| SCHEMBL9683741 | 0.71 | ABCB1 (0.36) | ABCB1ADRB1KCNH2CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5166218-A | Antilipemic agents or antiglycemic agents | HOFFMANN-LA ROCHE INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5064863-A | Catabolic activity, obesity, diabetes | HOFFMANN-LA ROCHE INC. (US) | 1991-11-12 | — | — | US | disclosed |