Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | RAC2 | P15153 | 1/20 | 0.34 |
| ▸ | RAC3 | P60763 | 1/20 | 0.34 |
| ▸ | CDC42 | P60953 | 1/20 | 0.34 |
| ▸ | RAC1 | P63000 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | SI | P14410 | 2/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21202756 | 0.97 | TDO2 (0.36) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL25060237 | 0.97 | TDO2 (0.36) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL20083017 | 0.92 | NQO2 (0.32) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL19933684 | 0.92 | RAC2 (0.34) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL21264628 | 0.90 | KIF11 (0.36) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL18653956 | 0.89 | TDO2 (0.37) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL19245324 | 0.88 | TDO2 (0.40) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL19474421 | 0.88 | TDO2 (0.40) | KIF11TOP1TDO2HTR2BHTR5A | |
| SCHEMBL12033935 | 0.88 | L3MBTL1 (0.41) | RAC2RAC3CDC42RAC1L3MBTL1 | |
| SCHEMBL12033899 | 0.88 | L3MBTL1 (0.42) | RAC2RAC3CDC42RAC1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| 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 |