Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HNF4A | P41235 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL31282478 | 0.83 | AHR (0.43) | AHRMCL1MAPK1 | |
| SCHEMBL24758926 | 0.83 | CYP2A6 (0.50) | CYP1A2CYP2A6MCL1TDP1CYP1A1 | |
| SCHEMBL25281652 | 0.81 | KDM4E (0.43) | AHRCYP1A2TDP1L3MBTL1CYP1A1 | |
| SCHEMBL24034361 | 0.80 | AHR (0.50) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL15667149 | 0.80 | AHR (0.57) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL29597535 | 0.80 | AHR (0.57) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL21331555 | 0.76 | AHR (0.53) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL22708607 | 0.75 | AHR (0.51) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL29839444 | 0.75 | AHR (0.51) | AHRCYP1A2CYP2A6TDP1L3MBTL1 | |
| SCHEMBL24212099 | 0.75 | CYP2A6 (0.40) | AHRCYP1A2CYP2A6L3MBTL1CYP1A1 |
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-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |