Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23616193 | 0.89 | MAPT (0.42) | ESR2RXRARXRBRXRGESR1 | |
| SCHEMBL19494793 | 0.84 | PDK2 (0.39) | ESR2ESR1DHFRPDK2PGR | |
| SCHEMBL21257277 | 0.83 | BACE1 (0.50) | ESR2ESR1ALDH1A1HSD17B10THRB | |
| SCHEMBL31547363 | 0.81 | CYP2A6 (0.42) | ALDH1A1HSD17B10THRBTDP1CYP2A6 | |
| SCHEMBL29662139 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HSD17B10THRBTDP1PDK2 | |
| SCHEMBL25181378 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HSD17B10THRBTDP1PDK2 | |
| SCHEMBL15506386 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HSD17B10THRBTDP1PDK2 | |
| SCHEMBL21759261 | 0.81 | HTR2A (0.46) | ESR2ESR1THRBTDP1PDK2 | |
| SCHEMBL5014621 | 0.79 | HTR2A (0.43) | ESR2ESR1THRBTDP1PDK2 | |
| SCHEMBL5062909 | 0.79 | HTR2A (0.43) | ESR2ESR1THRBTDP1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013056776-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2013-04-25 | — | — | WO | disclosed |