Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25271971 | 0.90 | AHR (0.38) | CYP1A2CYP1A1CYP1B1MCL1IKBKB | |
| SCHEMBL29839444 | 0.81 | AHR (0.51) | CYP1A2CYP1A1CYP1B1IKBKBAHR | |
| SCHEMBL22708607 | 0.81 | AHR (0.51) | CYP1A2CYP1A1CYP1B1IKBKBAHR | |
| SCHEMBL24758926 | 0.80 | CYP2A6 (0.50) | CYP1A2CYP1A1CYP1B1MCL1CYP2A6 | |
| SCHEMBL31282478 | 0.78 | AHR (0.43) | MCL1AHRALDH1A1MAPK1KMT2A | |
| SCHEMBL24212099 | 0.77 | CYP2A6 (0.40) | CYP1A2CYP1A1CYP1B1IKBKBAHR | |
| SCHEMBL28412615 | 0.75 | IKBKB (0.38) | CYP1A2CYP1A1CYP1B1IKBKBAHR | |
| SCHEMBL24034361 | 0.74 | AHR (0.50) | CYP1A2CYP1A1CYP1B1AHRCYP2A6 | |
| SCHEMBL21331568 | 0.74 | AHR (0.54) | CYP1A2CYP1A1CYP1B1AHRCYP2A6 | |
| SCHEMBL15667149 | 0.74 | AHR (0.57) | CYP1A2CYP1A1CYP1B1AHRCYP2A6 |
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-2023113333-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |