Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAC2 | P15153 | 1/20 | 0.34 |
| ▸ | RAC3 | P60763 | 1/20 | 0.34 |
| ▸ | CDC42 | P60953 | 1/20 | 0.34 |
| ▸ | RAC1 | P63000 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25060237 | 0.93 | TDO2 (0.36) | RAC2RAC3CDC42RAC1KIF11 | |
| SCHEMBL21202756 | 0.93 | TDO2 (0.36) | RAC2RAC3CDC42RAC1KIF11 | |
| SCHEMBL19933533 | 0.92 | KIF11 (0.35) | RAC2RAC3CDC42RAC1KIF11 | |
| SCHEMBL16175970 | 0.89 | KDM4E (0.39) | RAC2RAC3CDC42RAC1KDM4E | |
| SCHEMBL20083017 | 0.89 | NQO2 (0.32) | RAC2RAC3CDC42RAC1KIF11 | |
| SCHEMBL16176073 | 0.87 | KDM4E (0.37) | RAC2RAC3CDC42RAC1KDM4E | |
| SCHEMBL19245324 | 0.83 | TDO2 (0.40) | KIF11TOP1GABRPGABRDGABRA1 | |
| SCHEMBL19474421 | 0.83 | TDO2 (0.40) | KIF11TOP1GABRPGABRDGABRA1 | |
| SCHEMBL17050884 | 0.83 | TDO2 (0.42) | KIF11GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL31478071 | 0.83 | TDO2 (0.42) | KIF11GABRPGABRDGABRA1GABRB1 |
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-2018041769-A1 | BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-08 | — | — | WO | disclosed |