Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6200772 | 0.89 | CES1 (0.44) | CES1SRCADRB2ADRB1ADRB3 | |
| SCHEMBL4790278 | 0.80 | CES1 (0.47) | CES1SRCALDH1A1CYP3A4ALOX15 | |
| SCHEMBL6763904 | 0.77 | CES1 (0.47) | CES1SRCALDH1A1CYP2D6CHRM2 | |
| SCHEMBL6202040 | 0.75 | LMNA (0.48) | CES1SRCALDH1A1CYP2D6LMNA | |
| SCHEMBL390943 | 0.74 | CES1 (0.52) | CES1SRCALDH1A1CYP3A4ALOX15 | |
| SCHEMBL11789186 | 0.74 | CES1 (0.50) | CES1SRCALDH1A1CYP3A4ALOX15 | |
| SCHEMBL6321356 | 0.73 | CHRM2 (0.48) | CES1SRCADRB3ALDH1A1CYP2D6 | |
| SCHEMBL6322308 | 0.73 | L3MBTL1 (0.46) | CES1SRCALDH1A1TSHRLMNA | |
| SCHEMBL43695 | 0.72 | CES1 (0.48) | CES1SRCALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL36374 | 0.72 | CES1 (0.48) | CES1SRCALDH1A1CYP3A4ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |