Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | QDPR | P09417 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | USP5 | P45974 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16959836 | 0.85 | ABCC9 (0.38) | ESR2QDPRPDK2DHODHESR1 | |
| SCHEMBL29588325 | 0.81 | ESR2 (0.49) | ESR2DHODHACMSDCYP2D6SLC6A2 | |
| SCHEMBL26345314 | 0.81 | ESR2 (0.35) | ESR2QDPRPDK2DHODHCYP2D6 | |
| SCHEMBL20238499 | 0.81 | ESR2 (0.49) | ESR2DHODHACMSDCYP2D6SLC6A2 | |
| SCHEMBL16954478 | 0.78 | ESR2 (0.39) | ESR2QDPRPDK2ACMSDESR1 | |
| SCHEMBL16958035 | 0.77 | ESR2 (0.38) | ESR2QDPRPDK2ACMSDESR1 | |
| SCHEMBL16957753 | 0.77 | ESR2 (0.38) | ESR2QDPRPDK2ACMSDESR1 | |
| SCHEMBL16960650 | 0.77 | ESR2 (0.38) | ESR2QDPRPDK2ACMSDESR1 | |
| SCHEMBL16956077 | 0.77 | ESR2 (0.38) | ESR2QDPRCYP2D6SLC6A2SLC6A4 | |
| SCHEMBL29389392 | 0.74 | HTR2A (0.46) | ESR2QDPRSLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |