Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | KIF11 | P52732 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL2399948 | 1.00 | ESR1 (0.42) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL10414031 | 0.87 | ESR1 (0.43) | ESR1ESR2LMNAACHEGABRA1 | |
| SCHEMBL14770844 | 0.86 | ESR1 (0.42) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL10638645 | 0.82 | ESR2 (0.44) | ESR1ESR2KIF11OPRM1 | |
| SCHEMBL31215161 | 0.82 | LMNA (0.44) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL825377 | 0.82 | LMNA (0.44) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL13930904 | 0.82 | ESR1 (0.44) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL4379660 | 0.82 | ALDH1A1 (0.44) | ESR1ESR2ALDH1A1CYP3A4CA12 | |
| SCHEMBL10599298 | 0.82 | ESR1 (0.39) | ESR1ESR2LMNAACHEGABRA1 | |
| SCHEMBL11783483 | 0.82 | ALDH1A1 (0.44) | ESR1ESR2ALDH1A1CYP3A4CA12 |
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-7550624-B2 | Pharmaceutically active salts and esters of 1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol and 3- (3-dimethylamino-1-ethyl-1-hydroxy-2-methylpropyl)-phenol and methods of using same | GRUENENTHAL GMBH (DE) | 2009-06-23 | — | — | US | disclosed |
| US-7550624-B2 | Pharmaceutically active salts and esters of 1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol and 3- (3-dimethylamino-1-ethyl-1-hydroxy-2-methylpropyl)-phenol and methods of using same | GRUENENTHAL GMBH (DE) | 2009-06-23 | — | — | US | disclosed |