Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.38 |
| ▸ | CYP2A7 | P20853 | 3/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 3/20 | 0.38 |
| ▸ | CYP2F1 | P24903 | 3/20 | 0.38 |
| ▸ | CYP2C18 | P33260 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4F8 | P98187 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8531806 | 0.83 | CYP1B1 (0.40) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514472 | 0.81 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514874 | 0.77 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514644 | 0.77 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514939 | 0.75 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17515012 | 0.74 | ABL1 (0.45) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514736 | 0.73 | ABL1 (0.42) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514931 | 0.72 | ALDH1A1 (0.37) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17514599 | 0.72 | CYP1A1 (0.39) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL11095391 | 0.72 | NPC1 (0.32) | NPC1RAB9A |
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-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |