Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 8/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29511863 | 0.80 | HIF1A (0.58) | ADRB3NFKB1SMN1; SMN2SLC22A3PPARG | |
| SCHEMBL3652526 | 0.80 | HIF1A (0.58) | ADRB3NFKB1SMN1; SMN2SLC22A3PPARG | |
| SCHEMBL8910713 | 0.79 | ADRB3 (0.52) | ADRB3NFKB1SMN1; SMN2ADRB2LMNA | |
| Hydrochloric Acid SCHEMBL3656870 | 0.78 | ADRB2 (0.59) | ADRB3NFKB1SMN1; SMN2SLC22A3PPARG | |
| SCHEMBL20852599 | 0.77 | SLC22A3 (0.78) | ADRB3NFKB1SLC22A3CYP3A4TSHR | |
| SCHEMBL10335590 | 0.76 | PPARG (0.61) | NFKB1SMN1; SMN2SLC22A3ACHEPPARG | |
| SCHEMBL6055371 | 0.76 | PPARG (0.61) | NFKB1SMN1; SMN2SLC22A3ACHEPPARG | |
| SCHEMBL8911567 | 0.75 | ADRB3 (0.55) | ADRB3ADRB2ADRB1 | |
| SCHEMBL9587105 | 0.75 | ADRB2 (0.53) | ADRB3NFKB1SMN1; SMN2SLC22A3PPARG | |
| SCHEMBL14137931 | 0.75 | SLC22A3 (0.61) | ADRB3NFKB1SLC22A3PPARGPPARD |
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-2222629-A1 | PROCESS FOR PREPARING N-METHYL-3, 4 DIMETHOXYPHENYLETHYLAMINE | Sicor, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009086464-A1 | PROCESS FOR PREPARING N-METHYL-3, 4 DIMETHOXYPHENYLETHYLAMINE | SICOR INC. (US) | 2009-07-09 | — | — | WO | disclosed |