Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL22868713 | 0.99 | ESR1 (0.38) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868956 | 0.96 | MEN1 (0.36) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868513 | 0.95 | ESR1 (0.37) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868581 | 0.93 | MEN1 (0.37) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868795 | 0.92 | MEN1 (0.33) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868634 | 0.92 | MAPT (0.34) | MEN1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL21394018 | 0.91 | MAPT (0.35) | MEN1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL21394304 | 0.91 | MAPT (0.35) | MEN1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL21394118 | 0.91 | MAPT (0.35) | MEN1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL21394307 | 0.91 | MAPT (0.35) | MEN1MAPTKMT2AKDM4ELMNA |
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 |