Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | GAA | P10253 | 8/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.35 |
| ▸ | GLA | P06280 | 6/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23917310 | 0.87 | KDM4E (0.31) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL23917305 | 0.77 | KDM4E (0.46) | ALDH1A1GAAKDM4EGLACDK5 | |
| SCHEMBL23917140 | 0.77 | KDM4E (0.36) | ALDH1A1GAAKDM4EGLACDK5 | |
| SCHEMBL23917313 | 0.75 | KDM4E (0.37) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL23917344 | 0.75 | ALDH1A1 (0.37) | ALDH1A1GAAKDM4EGLACDK5 | |
| SCHEMBL21622982 | 0.73 | ALDH1A1 (0.43) | ALDH1A1GAAKDM4EGLACDK5 | |
| SCHEMBL23917356 | 0.73 | KDM4E (0.36) | ALDH1A1GAAKDM4EGLACDK5 | |
| SCHEMBL23917143 | 0.71 | KDM4E (0.40) | ALDH1A1GAAKDM4EGLAHTT | |
| SCHEMBL26471037 | 0.70 | ALDH1A1 (0.39) | TDO2IDO2ALDH1A1GAAKDM4E | |
| SCHEMBL23917318 | 0.70 | NPC1 (0.36) | ALDH1A1GAAKDM4EGLAHPGD |
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-2020011686-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-01-16 | — | — | WO | disclosed |