Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 4/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16953945 | 0.84 | NQO1 (0.41) | TSHRLTA4HCYP2D6CYP3A4TP53 | |
| SCHEMBL16953265 | 0.83 | NQO1 (0.45) | TSHRLTA4HNR5A1CYP2D6CYP3A4 | |
| SCHEMBL9242292 | 0.82 | LTA4H (0.45) | TSHRLTA4HNR5A1FAAHCYP2D6 | |
| SCHEMBL16958467 | 0.81 | AHR (0.55) | TSHRLTA4HNR5A1CYP2D6CYP3A4 | |
| SCHEMBL16951596 | 0.81 | CA12 (0.41) | TSHRLTA4HNR5A1CYP2D6CYP3A4 | |
| SCHEMBL16959395 | 0.81 | CHRNB2 (0.30) | — | |
| SCHEMBL16956441 | 0.81 | ALDH1A1 (0.41) | CYP3A4CA12CA1CA9 | |
| SCHEMBL16958654 | 0.80 | LTA4H (0.42) | TSHRLTA4HNR5A1CYP2D6CYP3A4 | |
| SCHEMBL16959969 | 0.80 | LTA4H (0.40) | TSHRLTA4HNR5A1CYP2D6CYP3A4 | |
| SCHEMBL16959670 | 0.80 | RAB9A (0.44) | TSHRLTA4HNR5A1FAAHCYP2D6 |
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 |