Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22195514 | 0.90 | TSHR (0.39) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL25974342 | 0.89 | MAPT (0.38) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23740435 | 0.88 | NPC1 (0.31) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL25974354 | 0.88 | MAPT (0.37) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL25974352 | 0.88 | MAPT (0.37) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23740434 | 0.87 | TSHR (0.33) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL25016549 | 0.87 | TSHR (0.38) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL22195526 | 0.87 | TSHR (0.38) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL26415865 | 0.87 | TSHR (0.34) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL24388277 | 0.86 | PIM1 (0.37) | PRKDCTSHR |
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-2023149718-A1 | ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT | 엘티소재주식회사 | 2023-08-10 | — | — | WO | disclosed |