Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16957471 | 0.83 | NOTUM (0.44) | NOTUMHTR2CPDE3BPDE3AHTR2A | |
| SCHEMBL16762007 | 0.83 | NOTUM (0.45) | NOTUMHTR2CPDE3BPDE3AHTR2A | |
| SCHEMBL16761882 | 0.78 | KIF11 (0.41) | NOTUMHTR2CPDE3BPDE3AHTR2A | |
| SCHEMBL16955067 | 0.77 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL1918581 | 0.77 | KIF11 (0.41) | NOTUMHTR2CPDE3BPDE3AHTR2A | |
| SCHEMBL16957244 | 0.77 | NOTUM (0.51) | NOTUMHTR2CPDE3BPDE3AHTR2A | |
| SCHEMBL16962258 | 0.77 | OPRL1 (0.37) | KDM1AOPRL1ALDH1A1 | |
| SCHEMBL18671229 | 0.76 | KIF11 (0.40) | NOTUMHTR2CSLC9A1 | |
| SCHEMBL16953844 | 0.76 | TRPA1 (0.36) | ALDH1A1 | |
| SCHEMBL15582367 | 0.75 | ALDH1A1 (0.43) | NOTUMHTR2CHTR2AHTR2BALDH1A1 |
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 |