Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ERN1 | O75460 | 5/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | PHGDH | O43175 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31429067 | 1.00 | ALDH1A1 (0.57) | ALDH1A1ERN1HRH3PKMHPGD | |
| SCHEMBL17443637 | 0.90 | HRH3 (0.56) | ALDH1A1ERN1HRH3PKMHPGD | |
| SCHEMBL17895473 | 0.82 | HRH3 (0.54) | HRH3PKMHPGDJAK2PHGDH | |
| SCHEMBL29484293 | 0.82 | HRH3 (0.54) | HRH3PKMHPGDJAK2PHGDH | |
| SCHEMBL28114945 | 0.82 | HRH3 (0.50) | ALDH1A1ERN1HRH3PKMHPGD | |
| SCHEMBL24758082 | 0.78 | NTRK1 (0.48) | ALDH1A1ERN1HPGDJAK2 | |
| SCHEMBL28090330 | 0.78 | HRH3 (0.53) | HRH3PKMHPGDJAK2 | |
| SCHEMBL11371837 | 0.77 | HTR1A (0.62) | HRH3 | |
| SCHEMBL30689022 | 0.76 | ALDH1A1 (0.62) | ALDH1A1PKMHPGDJAK1JAK3 | |
| SCHEMBL5279896 | 0.75 | ACHE (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106243012-A | New indole analog derivative and preparation method thereof | 北方民族大学 | 2016-12-21 | — | — | CN | disclosed |