Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.62 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 7/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16951830 | 0.89 | DAO (0.53) | PTGS2DAOCNR1CNR2GRIN2D | |
| SCHEMBL9279920 | 0.86 | PTGS2 (0.67) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL9311583 | 0.86 | HPGD (0.56) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL1621101 | 0.84 | DAO (0.53) | PTGS2DAOGRIN2DGRIN3BGRIN1 | |
| SCHEMBL16958517 | 0.84 | CNR1 (0.49) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL16958561 | 0.84 | PTGS2 (0.44) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL16957772 | 0.82 | HPGD (0.52) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL1171756 | 0.80 | PTGS2 (0.76) | PTGS2CNR1CNR2CYP3A4CYP19A1 | |
| SCHEMBL16953288 | 0.80 | HPGD (0.50) | PTGS2HPGDMAPK1NPC1HTT | |
| SCHEMBL8228443 | 0.80 | DAO (0.47) | PTGS2DAOMAPK1GRIN2DGRIN3B |
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 |