Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954423 | 0.88 | ALDH1A1 (0.42) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL3387371 | 0.87 | TSHR (0.49) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL16951429 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL16953702 | 0.85 | ALDH1A1 (0.35) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL16955073 | 0.84 | THRB (0.35) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL16953388 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TDP1HPGDPOLBCYP3A4 | |
| SCHEMBL30818240 | 0.80 | GPR35 (0.53) | ALDH1A1TDP1TSHRGPR35GABRA1 | |
| SCHEMBL16961033 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4TSHRGPR35 | |
| SCHEMBL28671609 | 0.80 | GPR35 (0.53) | ALDH1A1TDP1TSHRGPR35GABRA1 | |
| SCHEMBL3387462 | 0.78 | TSHR (0.46) | MAPTTSHRGABRA1GABRB2 |
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 |