Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 3/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 3/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16956363 | 0.83 | FFAR1 (0.36) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL16959596 | 0.81 | IMPDH2 (0.33) | PNMTTRPV4CYP11B1CYP11B2 | |
| SCHEMBL16955612 | 0.81 | KIF11 (0.33) | PTGDR2PNMTTRPV4SCN8A | |
| SCHEMBL16959440 | 0.81 | CYP2A6 (0.38) | CYP2A6FFAR1FFAR4PNMTTRPV4 | |
| SCHEMBL16954337 | 0.80 | MEN1 (0.32) | PNMT | |
| SCHEMBL16958586 | 0.80 | VCAM1 (0.39) | ARPNMTTRPV4 | |
| SCHEMBL16960141 | 0.80 | TTR (0.32) | PNMT | |
| SCHEMBL16958329 | 0.79 | CYP2A6 (0.40) | CYP2A6ALDH1A1FFAR1ARTRPV4 | |
| SCHEMBL16956578 | 0.78 | MEN1 (0.37) | CYP2A6FFAR1FFAR4TRPV4 | |
| SCHEMBL16954699 | 0.78 | TRPV4 (0.46) | ALDH1A1ARTRPV4 |
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 |