Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL669473 | 0.86 | DNMT1 (0.38) | GPR84DNMT1CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL668563 | 0.80 | DNMT1 (0.45) | GPR84DNMT1CYP1A2DHFRCYP2D6 | |
| SCHEMBL1719526 | 0.79 | GSTP1 (0.44) | GSTP1HDAC4HDAC2HDAC8CYP1A2 | |
| SCHEMBL196008 | 0.79 | GSTP1 (0.53) | GSTP1GPR84HDAC4HDAC2HDAC8 | |
| Phenanthrene SCHEMBL25209335 | 0.77 | GSTP1 (0.52) | GSTP1GPR84HDAC4HDAC2HDAC8 | |
| SCHEMBL27482644 | 0.77 | ALDH1A1 (0.40) | DNMT1CYP1A2CYP1B1CYP2C19MAPT | |
| SCHEMBL20774134 | 0.76 | ALDH1A1 (0.45) | CYP1A2CYP1B1CYP1A1CYP2C9CYP2C19 | |
| SCHEMBL20773984 | 0.74 | ALDH1A1 (0.47) | CYP1A2CYP1B1CYP1A1CYP2D6CYP2C19 | |
| SCHEMBL28387886 | 0.74 | HDAC4 (0.49) | GSTP1GPR84HDAC4HDAC2HDAC8 | |
| SCHEMBL4216130 | 0.74 | ESR1 (0.38) | GSTP1HDAC4HDAC2HDAC8CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2038370-B1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-04-25 | — | — | EP | disclosed |