Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL45043 | 0.85 | NOTUM (0.56) | ALDH1A1NOTUMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11614453 | 0.84 | CASR (0.46) | ALDH1A1NOTUMPTGS2CASR | |
| Hydrochloric Acid SCHEMBL1082574 | 0.83 | NOTUM (0.55) | ALDH1A1NOTUMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19281408 | 0.79 | AR (0.43) | ALDH1A1ARNOTUMADRB1CYP1A2 | |
| SCHEMBL28223159 | 0.78 | GABRA2 (0.47) | — | |
| SCHEMBL16056137 | 0.76 | NR2E1 (0.54) | ALDH1A1ARNOTUMCYP1A2CYP3A4 | |
| SCHEMBL380712 | 0.76 | L3MBTL1 (0.40) | ALDH1A1CYP3A4BACE1 | |
| SCHEMBL4868706 | 0.73 | AR (0.45) | ARNOTUM | |
| SCHEMBL20242016 | 0.73 | AR (0.43) | ARNOS3NOS2NOTUM | |
| SCHEMBL31052478 | 0.71 | DHFR (0.44) | CYP3A4 |
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-2024030651-A1 | GPX4 INHIBITORS AND USE THEREOF | SONATA THERAPEUTICS, INC. (US) | 2024-02-08 | — | — | WO | disclosed |