Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | S100B | P04271 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL655246 | 0.79 | S100B (0.52) | CYP3A4TSHRMAPK1S100BALDH1A1 | |
| Thiourea SCHEMBL650897 | 0.72 | S100B (0.44) | CYP3A4TSHRMAPK1S100BALDH1A1 | |
| SCHEMBL9403425 | 0.72 | CYP3A4 (0.55) | CYP3A4TSHRMAPK1S100BALDH1A1 | |
| SCHEMBL655093 | 0.71 | S100B (0.52) | CYP3A4TSHRMAPK1S100BALDH1A1 | |
| SCHEMBL8960786 | 0.71 | S100B (0.47) | CYP3A4TSHRMAPK1S100BALDH1A1 | |
| SCHEMBL33943 | 0.69 | CYP3A4 (0.86) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8640325 | 0.67 | CYP3A4 (0.80) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8640327 | 0.67 | CYP3A4 (0.80) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL11431479 | 0.64 | S100B (0.44) | CYP3A4S100BALDH1A1 | |
| Thiourea SCHEMBL651375 | 0.64 | S100B (0.44) | CYP3A4TSHRMAPK1S100BALDH1A1 |
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-3586838-B1 | AMIDE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2021-10-27 | — | — | EP | disclosed |