Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23743379 | 0.91 | AURKA (0.35) | AURKAAURKBHSD17B10CYP1A2KDM4E | |
| SCHEMBL23743298 | 0.89 | ALDH1A1 (0.35) | AURKAAURKBHSD17B10CYP1A2KDM4E | |
| SCHEMBL24778314 | 0.89 | ALDH1A1 (0.35) | AURKAAURKBHSD17B10CYP1A2KDM4E | |
| SCHEMBL22038469 | 0.88 | SMN1; SMN2 (0.35) | HSD17B10KDM4EALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL19885857 | 0.88 | TSHR (0.36) | HSD17B10CYP1A2KDM4EALDH1A1TP53 | |
| SCHEMBL22868887 | 0.87 | PIM1 (0.38) | AURKAAURKBCYP1A2ALDH1A1MEN1 | |
| SCHEMBL23743372 | 0.87 | TSHR (0.36) | HSD17B10CYP1A2KDM4EALDH1A1TP53 | |
| SCHEMBL22868676 | 0.87 | CYP1A2 (0.36) | AURKAAURKBHSD17B10CYP1A2KDM4E | |
| SCHEMBL22868531 | 0.87 | KDM4E (0.32) | AURKAAURKBHSD17B10CYP1A2KDM4E | |
| SCHEMBL23743373 | 0.86 | ESR1 (0.36) | CYP1A2KDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20210005822-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD (KR) | 2021-01-07 | — | — | US | disclosed |