Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21364405 | 0.93 | KDM4E (0.49) | CYP1A2CYP1A1KEAP1CYP1B1NQO2 | |
| SCHEMBL16066239 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP1A1KEAP1CYP1B1NQO2 | |
| SCHEMBL16067057 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP1A1KEAP1CYP1B1NQO2 | |
| SCHEMBL16066292 | 0.82 | GABRP (0.45) | CYP1A2KDM4EMAPTLMNATP53 | |
| SCHEMBL16067066 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP1A1KEAP1CYP1B1NQO2 | |
| SCHEMBL18934518 | 0.80 | NQO2 (0.45) | CYP1A2CYP1A1KEAP1CYP1B1NQO2 | |
| SCHEMBL16066290 | 0.77 | TOP2A (0.51) | CYP1A2CYP1A1KEAP1CYP1B1KDM4E | |
| SCHEMBL16066246 | 0.77 | TOP2A (0.48) | CYP1A2CYP1A1KEAP1CYP1B1KDM4E | |
| SCHEMBL19959756 | 0.76 | KDM4E (0.53) | CYP1A2KDM4EMAPTLMNATP53 | |
| SCHEMBL21364400 | 0.75 | KDM4E (0.45) | CYP1A2CYP1A1KEAP1CYP1B1KDM4E |
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 |