Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 8/20 | 0.33 |
| ▸ | CTSD | P07339 | 4/20 | 0.33 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 3/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25849156 | 0.91 | FTO (0.33) | PDK2DRD1RARBRXRARARG | |
| SCHEMBL25849428 | 0.89 | PDK2 (0.36) | PDK2CTSDBACE1DRD1RARB | |
| SCHEMBL25872288 | 0.88 | PDK2 (0.38) | PDK2CTSDBACE1RARBRXRA | |
| SCHEMBL25849430 | 0.87 | PDK2 (0.38) | PDK2 | |
| SCHEMBL25848894 | 0.86 | CTSD (0.33) | PDK2CTSDBACE1DRD1PGR | |
| SCHEMBL25871488 | 0.86 | PDK2 (0.40) | PDK2BACE1PGR | |
| SCHEMBL25848909 | 0.85 | DRD1 (0.33) | PDK2CTSDBACE1DRD1 | |
| SCHEMBL25872804 | 0.85 | PDK2 (0.40) | PDK2BACE1 | |
| SCHEMBL25872197 | 0.83 | CTSD (0.32) | CTSDBACE1DRD1RARBRXRA | |
| SCHEMBL13557543 | 0.83 | BACE1 (0.36) | CTSDBACE1DRD1CHRM3HTR2A |
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-2023120714-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-06-29 | — | — | WO | disclosed |