Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | GABRP | O00591 | 2/20 | 0.44 |
| ▸ | GABRD | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRE | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16067066 | 0.88 | CYP1A2 (0.46) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL16067057 | 0.88 | CYP1A2 (0.46) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL16066433 | 0.84 | CYP1A2 (0.47) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL16066271 | 0.83 | KDM4E (0.44) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL16066572 | 0.82 | AHR (0.41) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL21364405 | 0.82 | KDM4E (0.49) | CYP1A2CYP1A1KEAP1CYP1B1KDM4E | |
| SCHEMBL21364400 | 0.79 | KDM4E (0.45) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL17033418 | 0.78 | KIF11 (0.44) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL23948639 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP1A1KEAP1CYP1B1GABRP | |
| SCHEMBL17996899 | 0.77 | KDM4E (0.43) | CYP1A2CYP1A1KEAP1CYP1B1GABRP |
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-2014142488-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME | 주식회사 두산 (KR) | 2014-09-18 | — | — | WO | disclosed |