Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.66 |
| ▸ | PPARG | P37231 | 1/20 | 0.62 |
| ▸ | PPARD | Q03181 | 1/20 | 0.62 |
| ▸ | PPARA | Q07869 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | BLM | P54132 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10774314 | 1.00 | ACHE (0.66) | ACHEPPARGPPARDPPARACYP2D6 | |
| SCHEMBL8007936 | 0.87 | PPARG (0.53) | ACHEPPARGPPARDPPARACYP2D6 | |
| SCHEMBL758673 | 0.86 | PPARG (0.68) | ACHEPPARGPPARDPPARAKMT2A | |
| SCHEMBL10343408 | 0.85 | PPARG (0.66) | ACHEPPARGPPARDPPARAKMT2A | |
| SCHEMBL30366304 | 0.85 | PPARG (0.66) | ACHEPPARGPPARDPPARAKMT2A | |
| SCHEMBL28957718 | 0.85 | PPARG (0.66) | ACHEPPARGPPARDPPARAKMT2A | |
| SCHEMBL3111714 | 0.84 | RECQL (0.50) | ACHEPPARGPPARDPPARACYP2D6 | |
| SCHEMBL11274741 | 0.84 | ADRA1A (0.51) | ACHEPPARGPPARDPPARACYP2D6 | |
| SCHEMBL835288 | 0.82 | RECQL (0.47) | ACHEPPARGPPARDPPARACYP2D6 | |
| SCHEMBL836490 | 0.82 | RECQL (0.47) | ACHEPPARGPPARDPPARACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4186129-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, ANTICONVULSANTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-01-29 | — | — | US | disclosed |