Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRND | Q07001 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL16958769 | 0.83 | CHRNA1 (0.42) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL25218839 | 0.80 | PTGDR2 (0.43) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL16951336 | 0.78 | TP53 (0.35) | CHRNB2CHRNA4PTGDR2DRD2DRD3 | |
| SCHEMBL16954591 | 0.78 | CHRNA1 (0.39) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL16952965 | 0.77 | KRAS (0.34) | PTGDR2DRD2DRD3SLC6A4 | |
| SCHEMBL16953955 | 0.77 | OPRL1 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4HCRTR2 | |
| SCHEMBL16954789 | 0.77 | OPRL1 (0.36) | CHRNB2CHRNA4PTGDR2SLC6A3 | |
| SCHEMBL16954608 | 0.77 | PDCD1 (0.35) | HTR6HCRTR2 | |
| SCHEMBL16959495 | 0.76 | ALDH1A1 (0.36) | CYP11B2 | |
| SCHEMBL16955672 | 0.76 | NOS3 (0.33) | — |
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 |