Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | F9 | P00740 | 2/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22174350 | 0.88 | KDM4E (0.46) | CYP1A2CYP1A1CYP1B1KDM4ENQO2 | |
| SCHEMBL31364126 | 0.88 | KDM4E (0.46) | CYP1A2CYP1A1CYP1B1KDM4ENQO2 | |
| SCHEMBL18803777 | 0.85 | CYP1A1 (0.39) | CYP1A2CYP1A1CYP1B1F9NQO2 | |
| SCHEMBL21190454 | 0.85 | NQO2 (0.40) | CYP1A2CYP1A1CYP1B1F9NQO2 | |
| SCHEMBL17932942 | 0.84 | F9 (0.40) | CYP1A2CYP1A1CYP1B1PTGESKDM4E | |
| SCHEMBL18267024 | 0.84 | F9 (0.40) | CYP1A2CYP1A1CYP1B1PTGESKDM4E | |
| SCHEMBL10122713 | 0.83 | NQO2 (0.41) | CYP1A2CYP1A1CYP1B1NQO2NQO1 | |
| SCHEMBL21190614 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP1A1CYP1B1F9NQO2 | |
| SCHEMBL17382968 | 0.82 | MCL1 (0.37) | CYP1A2CYP1A1CYP1B1F9NQO2 | |
| SCHEMBL17944275 | 0.82 | F9 (0.42) | CYP1A2CYP1A1CYP1B1F9NQO2 |
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-2020226295-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2020-11-12 | — | — | WO | disclosed |