Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.51 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30459933 | 0.84 | AKR1C3 (0.50) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 | |
| SCHEMBL17683159 | 0.84 | AKR1C3 (0.50) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 | |
| SCHEMBL6176751 | 0.84 | GAA (0.59) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 | |
| SCHEMBL30108025 | 0.80 | AKR1C3 (0.42) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 | |
| SCHEMBL30108000 | 0.78 | MAPT (0.53) | MAPTMAPK1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL4575162 | 0.76 | AKR1C3 (0.70) | AKR1C3AKR1C2MAPTMAPK1ALDH1A1 | |
| SCHEMBL430629 | 0.75 | MAPT (0.59) | AKR1C3AKR1C2MAPTMAPK1ALDH1A1 | |
| SCHEMBL31220866 | 0.75 | MEN1 (0.68) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 | |
| SCHEMBL6705974 | 0.75 | NPC1 (0.70) | MAPTMAPK1ALDH1A1L3MBTL1NPC1 | |
| SCHEMBL6178670 | 0.74 | ALDH1A1 (0.57) | AKR1C3AKR1C2KCNMA1MAPTMAPK1 |
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-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |