Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31225273 | 1.00 | CHRNB2 (0.42) | CHRNB2CHRNA4NQO1PPARDNOTUM | |
| SCHEMBL15716122 | 0.84 | TP53 (0.42) | CHRNB2CHRNA4NQO1PPARDTP53 | |
| SCHEMBL31225150 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4NQO1PPARDTP53 | |
| SCHEMBL16951582 | 0.83 | PTGDR2 (0.43) | ALDH1A1KDM4E | |
| SCHEMBL31118993 | 0.83 | PTGDR2 (0.43) | ALDH1A1KDM4E | |
| SCHEMBL16957262 | 0.78 | NQO1 (0.45) | CHRNB2CHRNA4NQO1PPARDTP53 | |
| SCHEMBL16952301 | 0.77 | KDM4E (0.43) | CHRNB2CHRNA4NQO1PPARDTP53 | |
| SCHEMBL16952555 | 0.77 | KDM4E (0.40) | CHRNB2CHRNA4NQO1PPARDNOTUM | |
| SCHEMBL16957258 | 0.77 | CHRNB2 (0.43) | CHRNB2CHRNA4NQO1PPARDTP53 | |
| SCHEMBL16957548 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNA4NQO1PPARDTP53 |
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 |