Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A | Q9UQD0 | 5/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 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 | |
|---|---|---|---|---|
| SCHEMBL16951329 | 0.84 | GABRA1 (0.42) | SCN8AMGLLTSHRSLC6A4ALDH1A1 | |
| SCHEMBL16955333 | 0.82 | GABRA1 (0.45) | PDCD1CD274SLC6A4PDK2KMT2A | |
| SCHEMBL16956130 | 0.81 | SCN8A (0.39) | SCN8AMGLLTSHRSLC6A4CHRM5 | |
| SCHEMBL16707502 | 0.80 | SCN8A (0.44) | SCN8ATSHRSLC6A4KDM4EALDH1A1 | |
| SCHEMBL16951131 | 0.80 | GRIN2B (0.38) | SLC6A4KDM4EPDK2KMT2ACYP2D6 | |
| SCHEMBL16959167 | 0.80 | MAPT (0.43) | PDCD1CD274TSHRKDM4EPDK2 | |
| SCHEMBL16954065 | 0.80 | TRPV1 (0.38) | PDCD1CD274MGLLSLC6A4ALDH1A1 | |
| SCHEMBL27684008 | 0.79 | SCN8A (0.38) | SCN8AMGLLTSHRSLC6A4CHRM5 | |
| SCHEMBL16959343 | 0.79 | GABRA1 (0.34) | PDCD1CD274SLC6A4PDK2LMNA | |
| SCHEMBL16950633 | 0.79 | GRIN2B (0.43) | PDCD1CD274TSHRKDM4EALDH1A1 |
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 |