Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2854881 | 0.91 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL13147478 | 0.91 | ESR1 (0.43) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12560738 | 0.89 | ALOX5 (0.53) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL169491 | 0.89 | CYP2A6 (0.45) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 | |
| SCHEMBL29349874 | 0.89 | CYP2A6 (0.45) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 | |
| SCHEMBL22042806 | 0.89 | CYP2A6 (0.45) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 | |
| SCHEMBL31347846 | 0.89 | CYP2A6 (0.45) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 | |
| SCHEMBL5798447 | 0.87 | ALOX5 (0.51) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL30647524 | 0.87 | CYP2A6 (0.43) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 | |
| SCHEMBL30100403 | 0.86 | ESR1 (0.43) | ALDH1A1HSD17B10CYP1B1CYP2A6ALOX5 |
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-2023282676-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-01-12 | — | — | WO | disclosed |