Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| SCHEMBL16954789 | 0.82 | OPRL1 (0.36) | CHRNB2CHRNA4PTGDR2SLC6A3 | |
| SCHEMBL16952965 | 0.82 | KRAS (0.34) | DRD2DRD4DRD3PTGDR2SLC6A4 | |
| SCHEMBL16953955 | 0.82 | OPRL1 (0.36) | CHRNB2CHRNA4NOTUM | |
| SCHEMBL16954882 | 0.80 | CYP2D6 (0.39) | CYP2D6CHRNB2CHRNA4KDM4CDRD2 | |
| SCHEMBL16959402 | 0.80 | PTGDR2 (0.36) | CHRNB2CHRNA4PTGDR2HTR2C | |
| SCHEMBL16955359 | 0.78 | CHRNA1 (0.38) | CHRNB2CHRNA4DRD2DRD3PTGDR2 | |
| SCHEMBL16952506 | 0.77 | HTR2C (0.40) | NOTUMHTR2C | |
| SCHEMBL16951242 | 0.76 | KDM4E (0.38) | TP53CHRNB2CHRNA4SLC6A2SLC6A4 | |
| SCHEMBL16952049 | 0.75 | KDM4C (0.37) | TP53CYP2D6CHRNB2CHRNA4KDM4C | |
| SCHEMBL16956618 | 0.74 | MEN1 (0.42) | TP53TDP1CYP2D6CSNK2A1 |
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 |