Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 3/20 | 0.30 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16960122 | 0.91 | BACE1 (0.32) | BACE1ACACB | |
| SCHEMBL16954880 | 0.84 | RXRA (0.33) | ACACB | |
| SCHEMBL16951084 | 0.81 | PTGS2 (0.53) | PTGS2CA1CA2CA9NPC1 | |
| SCHEMBL16956038 | 0.80 | CNR1 (0.40) | PTGS2MAPK1RAB9ACYP3A4CNR1 | |
| SCHEMBL16958216 | 0.80 | RAB9A (0.38) | PTGS2CA1CA2CA9NPC1 | |
| SCHEMBL16958829 | 0.79 | PTGS2 (0.35) | PTGS2CA1CA2CA9NPC1 | |
| SCHEMBL16954199 | 0.79 | ACACB (0.36) | ACACB | |
| SCHEMBL16950379 | 0.79 | HPGD (0.45) | PTGS2CA1CA2CA9NPC1 | |
| SCHEMBL16959780 | 0.78 | CNR1 (0.34) | PTGS2CA1CA2CA9NPC1 | |
| SCHEMBL16952314 | 0.77 | PTGS2 (0.41) | PTGS2CA1CA2CA9BACE1 |
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 |