Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.34 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16955251 | 0.87 | PTGDR2 (0.39) | NQO2MTNR1AMTNR1BKMT2A | |
| SCHEMBL16952304 | 0.84 | CHRNB2 (0.41) | CHRNB2CHRNA4PPARDNQO1HPGD | |
| SCHEMBL16951245 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNA4PPARDNQO1HPGD | |
| SCHEMBL16952051 | 0.79 | PTGDR2 (0.34) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16957258 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA4PPARDNQO1HPGD | |
| SCHEMBL16951323 | 0.77 | NQO1 (0.42) | NQO1HPGDTP53CYP3A4ALDH1A1 | |
| SCHEMBL16955310 | 0.77 | ESR2 (0.35) | CYP3A4 | |
| SCHEMBL16955792 | 0.77 | GBA1 (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16962465 | 0.76 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL16961562 | 0.76 | NQO1 (0.41) | NQO1HPGDALDH1A1MTNR1AAKR1C3 |
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 |