Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3102156 | 0.80 | SMN1; SMN2 (0.50) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL10897314 | 0.77 | HRH3 (0.72) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL7277594 | 0.76 | HTT (0.56) | ALDH1A1SMN1; SMN2ADRB3ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL21595634 | 0.76 | SMN1; SMN2 (0.68) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL8252741 | 0.74 | HRH3 (0.66) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9734262 | 0.73 | HRH3 (0.66) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL5859651 | 0.73 | LDHA (0.62) | POLBADRB3 | |
| SCHEMBL4547156 | 0.72 | HRH3 (0.79) | HRH3KCNH2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL14402484 | 0.72 | POLB (0.54) | POLBADRB3ADRB2 | |
| SCHEMBL11451860 | 0.72 | SLC18A2 (0.52) | SMN1; SMN2ADRB3ADRB2ADRB1 |
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-2227449-A1 | NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY | Pulkkinen, Juha (FI) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009066008-A1 | NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA (FI) | 2009-05-28 | — | — | WO | disclosed |