Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12512542 | 0.83 | ESR1 (0.56) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL12982602 | 0.82 | AOC3 (0.43) | ESR1ESR2LMNASLC6A3TDP1 | |
| SCHEMBL7531733 | 0.82 | AOC3 (0.59) | LMNASLC6A2ADRA1ACYP2D6SLC6A3 | |
| SCHEMBL1173366 | 0.82 | AOC3 (0.59) | LMNASLC6A2ADRA1ACYP2D6SLC6A3 | |
| SCHEMBL2414855 | 0.82 | ESR1 (0.52) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL14891094 | 0.78 | ESR1 (0.49) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL1917704 | 0.77 | TAAR1 (0.56) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL93780 | 0.77 | ESR1 (0.57) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL19329976 | 0.77 | HIF1A (0.67) | ESR1ESR2LMNASLC6A2OPRM1 | |
| SCHEMBL28445716 | 0.76 | ESR1 (0.46) | ESR1ESR2LMNASLC6A2OPRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9827315-B2 | Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives | THEMIS MEDICARE LIMITED (IN) | 2017-11-28 | — | — | US | disclosed |