Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 6/20 | 0.38 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP8 | P40818 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19003776 | 0.95 | ALDH1A1 (0.41) | ALDH1A1LMNAKDM4EHTTRXFP1 | |
| SCHEMBL30169931 | 0.92 | MCL1 (0.41) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL21643669 | 0.92 | MCL1 (0.41) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL13192365 | 0.92 | XDH (0.42) | ALDH1A1LMNAKDM4EHTTRXFP1 | |
| SCHEMBL21671232 | 0.91 | MCL1 (0.40) | ALDH1A1LMNAKDM4EHTTRXFP1 | |
| SCHEMBL13170679 | 0.91 | KDM4E (0.38) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL30169967 | 0.91 | KDM4E (0.38) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL13170656 | 0.90 | MCL1 (0.39) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL21671252 | 0.90 | MCL1 (0.37) | ALDH1A1KDM4EMCL1MAOAMAOB | |
| SCHEMBL13170655 | 0.89 | MCL1 (0.37) | ALDH1A1KDM4EMCL1MAOAMAOB |
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-2017104767-A1 | COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | TDK株式会社 | 2017-06-22 | — | — | WO | disclosed |