Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23947111 | 0.94 | LMNA (0.34) | CYP1B1CYP1A1EGFRERBB2ALDH1A1 | |
| SCHEMBL25522262 | 0.92 | EGFR (0.36) | EGFRERBB2MAPK8MAPK9MAPK10 | |
| SCHEMBL24972385 | 0.86 | ESR1 (0.39) | EGFRERBB2ALDH1A1MAPK8MAPK9 | |
| SCHEMBL25522673 | 0.85 | NISCH (0.33) | CYP1B1ALDH1A1HIF1AHSD17B10MAPT | |
| SCHEMBL25523962 | 0.85 | KDM4E (0.36) | CYP1B1CYP1A1EGFRERBB2ALDH1A1 | |
| SCHEMBL25521475 | 0.84 | EGFR (0.37) | EGFRERBB2ALDH1A1MAPTERBB3 | |
| SCHEMBL24971282 | 0.84 | NOS2 (0.35) | CYP1B1ALDH1A1HIF1AHSD17B10MAPT | |
| SCHEMBL24030549 | 0.82 | ESR2 (0.37) | EGFRERBB2ALDH1A1MAPTERBB3 | |
| SCHEMBL25544509 | 0.81 | NISCH (0.33) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL24292487 | 0.81 | CYP1B1 (0.33) | CYP1B1CYP1A1ALDH1A1HIF1AHSD17B10 |
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-2021230689-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |