Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16960528 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2A6RAPGEF4LMNAHTT | |
| SCHEMBL16952763 | 0.81 | PPARG (0.33) | LMNAHTTTP53HTR2AKCNH2 | |
| SCHEMBL16960169 | 0.81 | TP53 (0.39) | CYP3A4LMNAHTTTP53POLB | |
| SCHEMBL16960469 | 0.79 | POLB (0.32) | POLB | |
| SCHEMBL16955215 | 0.79 | MAPK1 (0.35) | CYP3A4LMNAHTTTP53GAA | |
| SCHEMBL16956011 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL16951521 | 0.78 | — | — | |
| SCHEMBL16953786 | 0.78 | MAPT (0.31) | MAPT | |
| SCHEMBL16958455 | 0.77 | MEN1 (0.40) | LMNASLC6A4KCNH2ALDH1A1MEN1 | |
| SCHEMBL16960171 | 0.76 | TRPA1 (0.34) | CYP2A6LMNASMN1; SMN2ALDH1A1MAPT |
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 |