Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIA | Q9BZP6 | 2/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GPR183 | P32249 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16826413 | 0.84 | CHIA (0.69) | CHIAPPARGNR2E3NCOR2MAPT | |
| SCHEMBL16826340 | 0.78 | CHIA (0.67) | CHIACHIT1KMT2AGAATDP1 | |
| SCHEMBL16825716 | 0.75 | CHIA (0.62) | CHIACHIT1KDM4E | |
| SCHEMBL16825839 | 0.75 | CHIA (0.43) | CHIACHIT1MAPTGAACYP1A2 | |
| SCHEMBL16825823 | 0.73 | POLB (0.61) | CHIAMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL16825973 | 0.73 | POLB (0.42) | CHIACHIT1MAPTNPSR1ALDH1A1 | |
| SCHEMBL16825923 | 0.73 | POLB (0.42) | CHIACHIT1MAPTNPSR1ALDH1A1 | |
| SCHEMBL16825808 | 0.73 | POLB (0.42) | CHIACHIT1MAPTNPSR1ALDH1A1 | |
| SCHEMBL16825645 | 0.73 | ALDH1A1 (0.54) | CHIAPPARGNR2E3NCOR2ALDH1A1 | |
| SCHEMBL16846220 | 0.73 | ALDH1A1 (0.54) | CHIAPPARGNR2E3NCOR2ALDH1A1 |
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-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |