Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 4/20 | 0.38 |
| ▸ | GRIK5 | Q16478 | 4/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 3/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.38 |
| ▸ | GRIK3 | Q13003 | 3/20 | 0.38 |
| ▸ | GRIK4 | Q16099 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29312400 | 0.87 | GRIK1 (0.36) | GRIK1GRIK5GRIA1GRIA2GRIA3 | |
| SCHEMBL18000271 | 0.85 | MAPT (0.41) | MAPTMEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL18509956 | 0.85 | MAPT (0.41) | MAPTMEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL18029358 | 0.82 | JAK2 (0.45) | MAPTMEN1ALDH1A1KMT2AKLK6 | |
| SCHEMBL18029159 | 0.81 | KIF11 (0.47) | MAPTMEN1ALDH1A1KMT2AKLK6 | |
| SCHEMBL20120047 | 0.80 | PTGS2 (0.36) | GRIK1GRIK5GRIA1GRIA2GRIA3 | |
| SCHEMBL18029302 | 0.79 | TPH1 (0.42) | GRIK1GRIK5GRIA1GRIA2GRIA3 | |
| SCHEMBL18000368 | 0.74 | ALDH1A1 (0.38) | MAPTMEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL18029158 | 0.74 | ALDH1A1 (0.38) | MAPTMEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL19872663 | 0.73 | MAPT (0.39) | MAPTMEN1ALDH1A1KMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |