Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 5/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.44 |
| ▸ | BCR | P11274 | 5/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17514829 | 0.83 | ABL1 (0.42) | ABL1ABCB1BCRAKR1C3AKR1C2 | |
| SCHEMBL5840979 | 0.75 | NOTUM (0.31) | — | |
| SCHEMBL17514701 | 0.74 | ABL1 (0.51) | ABL1ABCB1BCRAKR1C3AKR1C2 | |
| SCHEMBL17514738 | 0.72 | CYP1A1 (0.50) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL17514599 | 0.72 | CYP1A1 (0.39) | ABL1ABCB1BCRAKR1C3AKR1C2 | |
| SCHEMBL17514799 | 0.71 | ALDH1A1 (0.39) | ABL1ABCB1BCRAKR1C3AKR1C2 | |
| SCHEMBL17514724 | 0.70 | ABL1 (0.43) | ABL1ABCB1BCRAKR1C3AKR1C2 | |
| SCHEMBL4285142 | 0.69 | GAPDH (0.47) | AKR1C3AKR1C2CYP3A4ALDH1A1GAA | |
| SCHEMBL10428951 | 0.69 | BACE1 (0.36) | AKR1C3AKR1C2PTGS2CYP1A2CYP2A6 | |
| SCHEMBL17514936 | 0.68 | ABL1 (0.41) | ABL1ABCB1BCRAKR1C3AKR1C2 |
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 |