Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16958376 | 0.95 | HPGD (0.44) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16961458 | 0.92 | NPC1 (0.42) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16953461 | 0.90 | CNR1 (0.32) | CNR1CNR2 | |
| SCHEMBL16962249 | 0.88 | RXRA (0.32) | PTGS2 | |
| SCHEMBL16959980 | 0.85 | NPC1 (0.40) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16951756 | 0.85 | NPC1 (0.43) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16959942 | 0.84 | CNR1 (0.34) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16957837 | 0.84 | NPC1 (0.39) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16958424 | 0.84 | NPC1 (0.39) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL16961926 | 0.84 | HTT (0.39) | NPC1HPGDMAPK1HTTRAB9A |
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 |