Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.40 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.40 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.40 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.40 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450852 | 0.86 | CYP1A1 (0.41) | CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4 | |
| SCHEMBL6449543 | 0.86 | NFE2L2 (0.54) | CYP1A2CYP1A1CYP1B1NFE2L2PTGS1 | |
| SCHEMBL6453084 | 0.86 | NFE2L2 (0.60) | CYP1A2CYP1A1CYP1B1NFE2L2PTGS1 | |
| SCHEMBL6459887 | 0.84 | NFE2L2 (0.50) | CYP1A2CYP1A1CYP1B1NFE2L2PTGS1 | |
| SCHEMBL918614 | 0.84 | NFE2L2 (0.50) | CYP1A2CYP1A1CYP1B1NFE2L2PTGS1 | |
| SCHEMBL6448352 | 0.82 | CYP1A1 (0.45) | CYP1A2CYP1A1CYP1B1NFE2L2PTGS1 | |
| SCHEMBL6448427 | 0.80 | CYP1A1 (0.43) | CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4 | |
| SCHEMBL6450699 | 0.79 | TUBB4A (0.62) | CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4 | |
| SCHEMBL6453166 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4 | |
| SCHEMBL6451089 | 0.76 | KDM4E (0.41) | CYP1A2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1554236-A1 | NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS | Welichem Biotech Inc. (CA) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004031117-A1 | NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS | WELICHEM BIOTECH INC. (CA) | 2004-04-15 | — | — | WO | disclosed |