Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453194 | 0.83 | FSCN1 (0.46) | CYP3A4ALDH1A1MAPK1TDP1TP53 | |
| SCHEMBL28123829 | 0.76 | CYP3A4 (0.33) | CYP3A4TAAR1CYP2C9CYP2C19KDM4E | |
| SCHEMBL6811930 | 0.76 | CYP3A4 (0.51) | CYP3A4ALDH1A1TDP1ALOX15CYP2C9 | |
| SCHEMBL23720055 | 0.75 | CYP3A4 (0.45) | CYP3A4ALDH1A1MAPK1TDP1TP53 | |
| SCHEMBL21185998 | 0.74 | AXL (0.57) | CYP3A4CYP2C19GAAL3MBTL1GFER | |
| SCHEMBL13338133 | 0.71 | MAPK14 (0.41) | CYP3A4ALDH1A1DHFRTAAR1KMT2A | |
| SCHEMBL19433340 | 0.70 | DHFR (0.38) | CYP3A4ALDH1A1TP53DHFRGAA | |
| SCHEMBL31135775 | 0.70 | DHFR (0.38) | CYP3A4ALDH1A1TP53DHFRGAA | |
| SCHEMBL21129714 | 0.69 | HTT (0.34) | CYP3A4MAPK1ALOX15SLC6A2SLC6A4 | |
| SCHEMBL21474106 | 0.69 | ALDH1A1 (0.68) | CYP3A4ALDH1A1MAPK1TDP1TP53 |
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-2019141980-A1 | AGRICULTURAL CHEMICALS | GLOBACHEM NV (BE) | 2019-07-25 | — | — | WO | disclosed |