Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3976560 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL11133270 | 0.82 | TDP1 (0.47) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL7240751 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL29942185 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL29580528 | 0.79 | TDP1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL30822033 | 0.79 | MAPK1 (0.55) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL1998640 | 0.79 | CYP3A4 (0.52) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL113070 | 0.79 | TDP1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL3778792 | 0.79 | MAPK1 (0.55) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL11118377 | 0.78 | TDP1 (0.70) | ALDH1A1CYP3A4HPGDALOX15TSHR |
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 |